DSSTox Field Definition File:

EPA Fathead Minnow Acute Toxicity Database (EPAFHM)

*(last updated 15 February 2008)*

**Description:** Information in this file is intended to provide a
minimum level of annotation to the DSSTox SDF (Structure Data Format)
file created for the EPA Fathead Minnow Acute Toxicity Database (EPAFHM)
obtained from the Source website. For further explanation of
Source-specific fields, a user is encouraged to consult the listed
references. Additional information is provided on the DSSTox EPAFHM SDF
Download Page <http://www.epa.gov/ncct/dsstox/sdf_epafhm.html>. A number
of modifications in fields (and allowable entries) were made to the
original EPA Fathead Minnow database to improve consistency in
notations, eliminate the need for table addendums, and facilitate use of
the DSSTox SDF files in relational searching applications. All
modifications are documented in the ***Comments*** section of the table
below. In the course of creating the DSSTox SDF files, it was noted that
the Source EPA Fathead Minnow database included a single LC50 test
result rather than a geometric mean when multiple (2-10) bioassays were
performed on a single chemical. Replicate bioassays were conducted on 98
chemicals in the database. In order to align with the Main Citation -
Appendix 2, these replicate experiments are not listed separately in the
DSSTox EPAFHM SDF file; rather a single geometric mean of replicate LC50
values for each of the 98 chemicals is reported. As a result of this
finding, specific listings of all 137 replicate LC50 experiments for the
98 chemicals were added to the original Source EPA Fathead Minnow
database.

Description of ***DSSTox Standard Chemical Fields*** can be found in the
Central Field Definition Table located at:

<http://www.epa.gov/ncct/dsstox/CentralFieldDef.html>

The first section of the Table below lists the ***DSSTox Standard
Toxicity Fields*** employed for this database, followed by the ***EPAFHM
Source-Specific Fields*** containing the toxicity information particular
to EPAFHM. The ***Field Type*** indicates the type of the field, such as
numeric, integer, defined text, memo, etc. All ***Units*** and
***Descriptions*** are extracted from Source reference materials unless
otherwise noted. ***Allowable Entries*** lists allowed field entries
occurring in EPAFHM, separated by slashes for exclusive entries (i.e.,
cannot occur with another entry) and semicolons or spaces for
non-exclusive entries (i.e., can occur with other values). These are
defined and explained in the ***Description*** section.

**Source Website:**
<http://www.epa.gov/med/databases/fathead_minnow.htm>

**Source Contact:** Scientific questions pertaining to the EPAFHM
database should be directed to Chris Russom, Mid-continent Ecology
Division, National Health & Environmental Effects Research Laboratory,
US EPA, Duluth, MN; email: russom.chris@epa.gov

**Main Citation:** Publications reporting use of the DSSTox SDF file for
the EPA Fathead Minnow database are asked to list the full DSSTox file
name, including date stamp, and to cite as primary reference the
following:

> Russom, C.L., S.P. Bradbury, S.J. Broderius, D.E. Hammermeister, and
> R.A. Drummond (1997) Predicting modes of action from chemical
> structure: Acute toxicity in the fathead minnow (*Pimephales
> promelas*). *Environmental Toxicology and Chemistry* 16(5): 948-967.
> \*
>
> *\*pdf of Main Citation can be downloaded from EPAFHM SDF Download
> Page at the central DSSTox website:*
> <http://www.epa.gov/ncct/dsstox/sdf_epafhm.html>

**SDF Usage Notes:**

Each DSSTox SDF file contains a single **STRUCTURE** field. For each
chemical record, the **STRUCTURE** field entry directly corresponds to
the content of the **STRUCTURE\_\...** fields. The **STRUCTURE_Shown**
field documents the relationship between what is displayed in the
**STRUCTURE** field and the actual tested chemical substance, i.e.
**TestSubstance\_\...** fields, with the latter corresponding directly
to the toxicity data field entries. Commercial chemical relational
database (CRD) applications may automatically insert one or more
structure identifier fields upon import or export of an SDF file (e.g.,
Formula, FW or Mol_ID), fields that may augment or duplicate one or more
of the DSSTox Standard Chemical Fields. Users are cautioned that fields
containing null values in the first record of the SDF will be reordered
upon import into most applications; for this reason, the word "blank"
has been inserted into null fields in Record 1 of DSSTox SDF files and
can be deleted after SDF import. Users are additionally cautioned that
some fields (**STRUCTURE_SMILES** and **STRUCTURE_InChI**, in
particular) may exceed the 200 character limit specified in the MDL
CTFiles SDF standard (see
<http://www.epa.gov/ncct/dsstox/MoreonSDF.html>), and that some CRD
applications may insert a line break or truncate these fields upon SDF
import or export. Finally, CRD application-specific molecular header
information in the SDF file is deleted in the final DSSTox SDF files;
users running CRD applications requiring a unique molecule header upon
import of the SDF can specify either **DSSTox_RID** or the
**DSSTox_FileID** be used. Upon SDF import, **DSSTox_CID** can be used
to identify and manage chemical structure duplicates and
**DSSTox_Generic_SID** can be used to identify common Test Substances
across and within DSSTox files (similar to CASRN-substance, but
available for all DSSTox substances and further distinguishes among
different purity/grade substances).

*As an MS Word document, the following table is best viewed onscreen
using either Normal or Web Layout View in Landscape page orientation.*

+-------+------+---+--------+----------------------+-----------------+
| ***   | ***F | * | ***All | # *Description*      | ## *Comments*   |
| Field | ield | * | owable |                      |                 |
| Na    | Typ  | * | Entr   |                      |                 |
| me*** | e*** | U | ies*** |                      |                 |
|       |      | n |        |                      |                 |
|       |      | i |        |                      |                 |
|       |      | t |        |                      |                 |
|       |      | s |        |                      |                 |
|       |      | * |        |                      |                 |
|       |      | * |        |                      |                 |
|       |      | * |        |                      |                 |
+-------+------+---+--------+----------------------+-----------------+
|       |      |   |        | ##### DSSTox Stan    |                 |
|       |      |   |        | dard Toxicity Fields |                 |
+-------+------+---+--------+----------------------+-----------------+
| **St  | def  |   | Acute  | Field is used to     | Field names and |
| udy** | ined |   | To     | label all records in | content are     |
|       | text |   | xicity | the database,        | being           |
| **T   |      |   |        | generally with the   | coordinated     |
| ype** |      |   |        | same entry, and is   | with the public |
|       |      |   |        | designed to          | ToxML           |
| *(no  |      |   |        | facilitate record    | standardization |
| spa   |      |   |        | identification for   | effort.         |
| ces)* |      |   |        | cross-database       |                 |
|       |      |   |        | structure searching. |                 |
|       |      |   |        | Field entry refers   |                 |
|       |      |   |        | to the main type of  |                 |
|       |      |   |        | toxicity study for   |                 |
|       |      |   |        | which data is        |                 |
|       |      |   |        | represented in the   |                 |
|       |      |   |        | database.            |                 |
+-------+------+---+--------+----------------------+-----------------+
| # End | def  |   | LC50   | Field is used to     | Field names and |
| point | ined |   |        | label all records in | content are     |
|       | text |   |        | the database,        | being           |
|       |      |   |        | generally with the   | coordinated     |
|       |      |   |        | same entry, and is   | with the public |
|       |      |   |        | designed to          | ToxML           |
|       |      |   |        | facilitate record    | standardization |
|       |      |   |        | identification for   | effort.         |
|       |      |   |        | cross-database       |                 |
|       |      |   |        | structure searching. |                 |
|       |      |   |        | Field entry refers   |                 |
|       |      |   |        | to the type of       |                 |
|       |      |   |        | toxicity measure     |                 |
|       |      |   |        | represented within   |                 |
|       |      |   |        | the database.        |                 |
+-------+------+---+--------+----------------------+-----------------+
| *     | def  |   | f      | Field is used to     | Field names and |
| *Spec | ined |   | athead | label all records in | content are     |
| ies** | text |   | minnow | the database,        | being           |
|       |      |   |        | generally with the   | coordinated     |
|       |      |   |        | same entry, and is   | with the public |
|       |      |   |        | designed to          | ToxML           |
|       |      |   |        | facilitate record    | standardization |
|       |      |   |        | identification for   | effort.         |
|       |      |   |        | cross-database       |                 |
|       |      |   |        | structure searching. |                 |
|       |      |   |        | Field entry refers   |                 |
|       |      |   |        | to the species of    |                 |
|       |      |   |        | animal(s) listed in  |                 |
|       |      |   |        | the data record and  |                 |
|       |      |   |        | used in the toxicity |                 |
|       |      |   |        | study or studies.    |                 |
+-------+------+---+--------+----------------------+-----------------+
|       |      |   |        | ##### EPAFHM So      |                 |
|       |      |   |        | urce-Specific Fields |                 |
+-------+------+---+--------+----------------------+-----------------+
| **    | def  |   | Al     | Standard organic     | To facilitate   |
| ChemC | ined |   | kanes/ | chemical class       | use of EPA      |
| lass_ | text |   |        | designations of the  | Fathead Minnow  |
| FHM** |      |   | Al     | sort used in         | database in a   |
|       |      |   | kenes/ | traditional QSAR     | relational      |
|       |      |   |        | studies. These class | format, we have |
|       |      |   | Sat    | designations are     | replaced the    |
|       |      |   | urated | only provided for    | original field  |
|       |      |   | H      | information purposes | "CODE" with new |
|       |      |   | ydroca | in EPAFHM and were   | field           |
|       |      |   | rbons/ | not used in the      | "ChemClass      |
|       |      |   |        | construction of      | FHM", which     |
|       |      |   | Unsat  | Mode-of-action (MOA) | contains the    |
|       |      |   | urated | classes or           | organic         |
|       |      |   | H      | derivation of        | chemical class  |
|       |      |   | ydroca | quantitative         | referenced in   |
|       |      |   | rbons/ | structure-activity   | the "CODE"      |
|       |      |   |        | relationships        | field and       |
|       |      |   | Basic  | (QSARs) for this     | listed in a     |
|       |      |   | E      | study.               | Table 2         |
|       |      |   | thers/ |                      | addendum in the |
|       |      |   |        |                      | original EPA    |
|       |      |   | Di     |                      | Fathead Minnow  |
|       |      |   | phenyl |                      | database.       |
|       |      |   | E      |                      |                 |
|       |      |   | thers/ |                      | DSSTox field    |
|       |      |   |        |                      | entries exactly |
|       |      |   | Cyclic |                      | correspond to   |
|       |      |   | E      |                      | original EPA    |
|       |      |   | thers/ |                      | Fathead Minnow  |
|       |      |   |        |                      | database CODE   |
|       |      |   | Basic  |                      | Table 2 entries |
|       |      |   | Alc    |                      | with the        |
|       |      |   | ohols/ |                      | exception that  |
|       |      |   |        |                      | commas are      |
|       |      |   | Alkene |                      | deleted from    |
|       |      |   | Alc    |                      | Primary,        |
|       |      |   | ohols/ |                      | Secondary,      |
|       |      |   |        |                      | Tertiary,       |
|       |      |   | Alkyne |                      | aliphatic and   |
|       |      |   | Alc    |                      | aromatic amines |
|       |      |   | ohols/ |                      | class names,    |
|       |      |   |        |                      | and hyphens are |
|       |      |   | Diols/ |                      | deleted from    |
|       |      |   |        |                      | 5-membered ring |
|       |      |   | Alde   |                      | aliphatics and  |
|       |      |   | hydes/ |                      | aromatics,      |
|       |      |   |        |                      | beta-Diketones, |
|       |      |   | Basic  |                      | hetero-atom     |
|       |      |   | Ke     |                      | compounds, and  |
|       |      |   | tones/ |                      | DEAS-complex    |
|       |      |   |        |                      | structures      |
|       |      |   | beta   |                      | class names.    |
|       |      |   | Dike   |                      |                 |
|       |      |   | tones/ |                      | DEAS stands for |
|       |      |   |        |                      | "Drug           |
|       |      |   | Cyclic |                      | Enforcement     |
|       |      |   | Ke     |                      | Agency          |
|       |      |   | tones/ |                      | Structures", a  |
|       |      |   |        |                      | broad           |
|       |      |   | Carb   |                      | functional      |
|       |      |   | oxylic |                      | categorization. |
|       |      |   | Acids/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Basic  |                      |                 |
|       |      |   | E      |                      |                 |
|       |      |   | sters/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Phtha  |                      |                 |
|       |      |   | lates/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | A      |                      |                 |
|       |      |   | mides/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Acry   |                      |                 |
|       |      |   | lates/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Nit    |                      |                 |
|       |      |   | riles/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | P      |                      |                 |
|       |      |   | rimary |                      |                 |
|       |      |   | ali    |                      |                 |
|       |      |   | phatic |                      |                 |
|       |      |   | a      |                      |                 |
|       |      |   | mines/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Sec    |                      |                 |
|       |      |   | ondary |                      |                 |
|       |      |   | ali    |                      |                 |
|       |      |   | phatic |                      |                 |
|       |      |   | a      |                      |                 |
|       |      |   | mines/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | Te     |                      |                 |
|       |      |   | rtiary |                      |                 |
|       |      |   | ali    |                      |                 |
|       |      |   | phatic |                      |                 |
|       |      |   | a      |                      |                 |
|       |      |   | mines/ |                      |                 |
|       |      |   |        |                      |                 |
|       |      |   | P      |                      |                 |
|       |      |   | rimary |                      |                 |
|       |      |   | ar     |                      |                 |
|       |      |   | omatic |                      |                 |
|       |      |   | a      |                      |                 |
|       |      |   | mines/ |                      |                 |
+-------+------+---+--------+----------------------+-----------------+
| ##    | num  | # | \#     | Logarithm of the     |                 |
| CLOGP | eric | # |        | octano/water         |                 |
|       |      | # |        | partition            |                 |
|       |      | # |        | coefficient (LogP)   |                 |
|       |      |   |        | computed using the   |                 |
|       |      |   |        | semiempirical        |                 |
|       |      |   |        | fragment-based       |                 |
|       |      |   |        | method applied in    |                 |
|       |      |   |        | the CLOGP software   |                 |
|       |      |   |        | \[2\], unless        |                 |
|       |      |   |        | "measured LogP"      |                 |
|       |      |   |        | appears in MLOGP     |                 |
|       |      |   |        | field in which case  |                 |
|       |      |   |        | the measured LogP    |                 |
|       |      |   |        | value is provided in |                 |
|       |      |   |        | the **CLOGP** field  |                 |
|       |      |   |        | from the STARLIST    |                 |
|       |      |   |        | database of CLOGP.   |                 |
+-------+------+---+--------+----------------------+-----------------+
| ##    | def  | # | me     | "measured LogP"      |                 |
| MLOGP | ined | # | asured | indicates CLOGP      |                 |
|       | text | # | LogP/  | field value is       |                 |
|       |      | # |        | obtained from the    |                 |
|       |      |   | *      | STARLIST database of |                 |
|       |      |   | blank* | experimentally       |                 |
|       |      |   |        | measured LogP values |                 |
|       |      |   |        | provided in the      |                 |
|       |      |   |        | CLOGP application    |                 |
|       |      |   |        | \[2\];               |                 |
|       |      |   |        |                      |                 |
|       |      |   |        | "*blank*" or null    |                 |
|       |      |   |        | entry indicates the  |                 |
|       |      |   |        | CLOGP field value is |                 |
|       |      |   |        | computed from the    |                 |
|       |      |   |        | CLOGP semiempirical  |                 |
|       |      |   |        | fragment-based       |                 |
|       |      |   |        | method.              |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## LC | num  | # | *#/*   | 96 hr LC50           | If insufficient |
| 50_mg | eric | # |        | (concentration       | mortality was   |
|       |      | # | *      | producing lethality  | observed, LC50  |
|       |      | # | blank* | in 50% of test       | was assigned a  |
|       |      |   |        | animals after 96     | value of -99 in |
|       |      | m |        | hours exposure) in   | the original    |
|       |      | g |        | mg/l. Calculated     | EPA Fathead     |
|       |      | / |        | using                | Minnow          |
|       |      | l |        | Spearman-Karber      | database. To    |
|       |      |   |        | method \[3\].        | avoid problems  |
|       |      |   |        | Geometric mean of    | when log(LC50)  |
|       |      |   |        | LC50s presented if   | is used in      |
|       |      |   |        | more than one        | QSAR, we        |
|       |      |   |        | bioassay conducted   | convert these   |
|       |      |   |        | for the chemical;    | to *blank*      |
|       |      |   |        |                      | entry in LC50   |
|       |      |   |        | "*blank*" or null    | field.          |
|       |      |   |        | entry indicates no   | Replicate       |
|       |      |   |        | mortality, or less   | experiments     |
|       |      |   |        | than 50% mortality   | used to compute |
|       |      |   |        | observed at 96hr.    | geometric mean  |
|       |      |   |        |                      | LC50 values for |
|       |      |   |        |                      | 98 chemicals    |
|       |      |   |        |                      | are listed in   |
|       |      |   |        |                      | revised EPA     |
|       |      |   |        |                      | Fathead Minnow  |
|       |      |   |        |                      | database        |
|       |      |   |        |                      | located at      |
|       |      |   |        |                      | Source website. |
|       |      |   |        |                      | Geometric mean  |
|       |      |   |        |                      | LC50 value for  |
|       |      |   |        |                      | pe              |
|       |      |   |        |                      | ntachlorophenol |
|       |      |   |        |                      | is reported in  |
|       |      |   |        |                      | DSSTox SDF.     |
+-------+------+---+--------+----------------------+-----------------+
| ##    | num  | # | *#/*   | Conversion of        | Field new to    |
|  LC50 | eric | # |        | **LC50_mg** to mmol  | v3a.            |
| _mmol |      | # | *      | units:               |                 |
|       |      | # | blank* |                      |                 |
|       |      |   |        | **LC50_mmol** =      |                 |
|       |      | m |        | **LC50_mg** /        |                 |
|       |      | m |        | **STRUCTUR           |                 |
|       |      | o |        | E_MolecularWeight**; |                 |
|       |      | l |        |                      |                 |
|       |      | / |        | "*blank*" or null    |                 |
|       |      | l |        | entry indicates no   |                 |
|       |      |   |        | mortality, or less   |                 |
|       |      |   |        | than 50% mortality   |                 |
|       |      |   |        | observed at 96hr.    |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## Ac | def  | # | a      | Categorical activity | Summary         |
| tivit | ined | # | ctive/ | measure based on     | activity for    |
| yOutc | text | # |        | reported             | use in PubChem  |
| ome_E |      | # | i      | **LC50_mg**:         | and             |
| PAFHM |      |   | nconcl |                      | str             |
|       |      |   | usive/ | > "active" if an     | ucture-activity |
|       |      |   |        | > **LC50_mg** is     | relationship    |
|       |      |   | ina    | > reported;          | studies.        |
|       |      |   | ctive/ | >                    |                 |
|       |      |   |        | > \"inconclusive\"   | *New field      |
|       |      |   |        | > if only partial    | added to v4b.*  |
|       |      |   |        | > mortality was      |                 |
|       |      |   |        | > reached at the     |                 |
|       |      |   |        | > highest tested     |                 |
|       |      |   |        | > dose; and          |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > \"inactive\" if no |                 |
|       |      |   |        | > mortality at the   |                 |
|       |      |   |        | > highest tested     |                 |
|       |      |   |        | > dose.              |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## Ac | int  | # | I      | Mapping of LOG10     | Summary         |
| tivit | eger | # | NTEGER | (1/**LC50_mmol**)    | activity        |
| yScor |      | # | \[0    | activity values      | ranking for use |
| e\_ E |      | # | -100\] | spanning activity    | in PubChem and  |
| PAFHM |      |   |        | range \[MIN, MAX\]   | str             |
|       |      |   |        | onto Integer 1-100   | ucture-activity |
|       |      |   |        | Activity range,      | relationship    |
|       |      |   |        | where 100 is highest | studies.        |
|       |      |   |        | potency and 1 is     |                 |
|       |      |   |        | lowest.              | *New field      |
|       |      |   |        |                      | added to v4b.*  |
|       |      |   |        | If                   |                 |
|       |      |   |        | **Acti               |                 |
|       |      |   |        | vityOutcome_EPAFHM** |                 |
|       |      |   |        | is \"active:         |                 |
|       |      |   |        |                      |                 |
|       |      |   |        | > ActivityScore =    |                 |
|       |      |   |        | > 100 \*             |                 |
|       |      |   |        | > INTEGER\[(log10(1/ |                 |
|       |      |   |        | > LC50_mmol) -       |                 |
|       |      |   |        | > MIN)/(MAX --       |                 |
|       |      |   |        | > MIN)\].            |                 |
|       |      |   |        |                      |                 |
|       |      |   |        | If                   |                 |
|       |      |   |        | **Acti               |                 |
|       |      |   |        | vityOutcome_EPAFHM** |                 |
|       |      |   |        | is \"inactive\" or   |                 |
|       |      |   |        | \"inconclusive\":    |                 |
|       |      |   |        |                      |                 |
|       |      |   |        | > ActivityScore = 0. |                 |
+-------+------+---+--------+----------------------+-----------------+
| ##    | num  | # | #/     | Used for             | Text codes      |
| LC50_ | eric | # |        | dose-response        | (r48, r72, NR)  |
| Ratio |      | # | *      | assessments in the   | were            |
|       |      | # | blan*k | estimation of        | substituted for |
|       |      |   |        | Mode-of-Action       | the following   |
|       |      |   |        | (MOA); entry is      | symbol codes    |
|       |      |   |        | ratio of 24hr LC50   | used in the     |
|       |      |   |        | to 96hr LC50 unless  | original EPA    |
|       |      |   |        | otherwise noted (for | Fathead Minnow  |
|       |      |   |        | ratios of 48hr or    | database:       |
|       |      |   |        | 72hrs to 96hrs) in   |                 |
|       |      |   |        | **LC50_Note** field; | > \* = 48h/96h  |
|       |      |   |        |                      | > ratio = r48   |
|       |      |   |        | "*blank*" or null    | >               |
|       |      |   |        | entry indicates      | > \# = 72h/96h  |
|       |      |   |        | ratio was not        | > ratio = r72   |
|       |      |   |        | computed with reason | >               |
|       |      |   |        | provided in          | > \*\* = LC50   |
|       |      |   |        | **LC50_Note** field. | > obtained at   |
|       |      |   |        |                      | > 96 h = NR     |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NM, NT not    |
|       |      |   |        |                      | > defined in    |
|       |      |   |        |                      | > original      |
|       |      |   |        |                      | > EPAFHM        |
|       |      |   |        |                      | > documentation |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > In case of    |
|       |      |   |        |                      | > replicate     |
|       |      |   |        |                      | > experiments,  |
|       |      |   |        |                      | > ratio for a   |
|       |      |   |        |                      | > single        |
|       |      |   |        |                      | > replicate is  |
|       |      |   |        |                      | > reported that |
|       |      |   |        |                      | > approximately |
|       |      |   |        |                      | > represents    |
|       |      |   |        |                      | > group.        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > Replaces      |
|       |      |   |        |                      | > **LC50RATIO** |
|       |      |   |        |                      | > field name.   |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > Abbreviations |
|       |      |   |        |                      | > used          |
|       |      |   |        |                      | > previously    |
|       |      |   |        |                      | > have been     |
|       |      |   |        |                      | > expanded and  |
|       |      |   |        |                      | > moved to      |
|       |      |   |        |                      | > **LC50_Note** |
|       |      |   |        |                      | > field:        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > r48 = 48hr to |
|       |      |   |        |                      | > 96hr          |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  **LC50_Ratio** |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > r72 = 72hr to |
|       |      |   |        |                      | > 96hr          |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  **LC50_Ratio** |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NM =          |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | non-monotonical |
|       |      |   |        |                      | > pattern of    |
|       |      |   |        |                      | > death (i.e.   |
|       |      |   |        |                      | > more deaths   |
|       |      |   |        |                      | > at lower      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  concentrations |
|       |      |   |        |                      | > than at       |
|       |      |   |        |                      | > higher        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | concentrations) |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NR = LC50     |
|       |      |   |        |                      | > obtained only |
|       |      |   |        |                      | > at 96hr so no |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  **LC50_Ratio** |
|       |      |   |        |                      | > determined    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NT = not      |
|       |      |   |        |                      | > toxic in 96hr |
|       |      |   |        |                      | > exposure so   |
|       |      |   |        |                      | > no            |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  **LC50_Ratio** |
|       |      |   |        |                      | > determined    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > ND =          |
|       |      |   |        |                      | >               |
|       |      |   |        |                      |  **LC50_Ratio** |
|       |      |   |        |                      | > not           |
|       |      |   |        |                      | > determined    |
+-------+------+---+--------+----------------------+-----------------+
| ##    | def  | # | ###    | Comments regarding   | Replaces        |
|  LC50 | ined | # | # Text | the **LC50_mg**      | REMARKS field   |
| _Note | text | # |        | value and            | in original EPA |
|       |      | # |        | **LC50_Ratio**       | Fathead Minnow  |
|       |      |   |        | determination;       | database;       |
|       |      |   |        |                      | eliminate use   |
|       |      |   |        | Comments pertain to  | of              |
|       |      |   |        | exceptional          | abbreviations   |
|       |      |   |        | situations, e.g.,    | for mortality   |
|       |      |   |        | where: 50% mortality | and saturation. |
|       |      |   |        | could not be         | When more than  |
|       |      |   |        | achieved at          | one bioassay    |
|       |      |   |        | saturation           | was performed   |
|       |      |   |        | concentrations,      | on chemical,    |
|       |      |   |        | non-monotonical      | note refers to  |
|       |      |   |        | pattern of death was | single test     |
|       |      |   |        | observed (i.e., more | result. A note  |
|       |      |   |        | deaths at lower      | was added to    |
|       |      |   |        | concentrations than  | the DSSTox SDF  |
|       |      |   |        | at higher            | specifying the  |
|       |      |   |        | concentrations), or  | number of       |
|       |      |   |        | exceptions were made | experiments     |
|       |      |   |        | in terms of pH or    | (2-10)          |
|       |      |   |        | mixtures;            | contributing to |
|       |      |   |        |                      | calculation of  |
|       |      |   |        | If more than one     | the geometric   |
|       |      |   |        | replicate bioassay,  | mean LC50.      |
|       |      |   |        | number of            |                 |
|       |      |   |        | experiments          | Replaces        |
|       |      |   |        | contributing to      | **LC50NOTE**    |
|       |      |   |        | calculation of the   | field name.     |
|       |      |   |        | geometric mean LC50  |                 |
|       |      |   |        | is specified;        | Replaces text   |
|       |      |   |        |                      | footnotes in    |
|       |      |   |        | If **LC50_Ratio**    | **LC50_Ratio**  |
|       |      |   |        | was other than 24hr  | field.          |
|       |      |   |        | to 96 hr LC50 ratio, |                 |
|       |      |   |        | or was not computed, |                 |
|       |      |   |        | explanation is       |                 |
|       |      |   |        | provided here.       |                 |
+-------+------+---+--------+----------------------+-----------------+
| #     | def  | # | Ba     | Mode-of-action (MOA) | Field content   |
| # MOA | ined | # | seline | of chemical assigned | provided in     |
|       | text | # | nar    | by authors of study  | Table 3         |
|       |      | # | cosis; | based on joint toxic | addendum to     |
|       |      |   |        | action studies,      | original EPA    |
|       |      |   | Polar  | establishment of     | Fathead Minnow  |
|       |      |   | nar    | toxicodynamic        | database,       |
|       |      |   | cosis/ | profiles, and        | referenced to   |
|       |      |   |        | behavioral and       | MOA_NUM codes.  |
|       |      |   | Ac     | dose-response        | The latter      |
|       |      |   | rylate | interpretation of 96 | field and       |
|       |      |   | and    | hr LC50 tests.       | codes, used by  |
|       |      |   | ester  |                      | the authors for |
|       |      |   | nar    | Further description  | a specific      |
|       |      |   | cosis/ | of MOA categories is | application,    |
|       |      |   |        | provided in Main     | were deemed     |
|       |      |   | Unc    | Citation (Russom et  | unnecessary for |
|       |      |   | oupler | al., 1997).          | inclusion in    |
|       |      |   | of     |                      | the DSSTox SDF. |
|       |      |   | oxi    |                      |                 |
|       |      |   | dative |                      | Original        |
|       |      |   | phos   |                      | **MOA** field   |
|       |      |   | phoryl |                      | entries in the  |
|       |      |   | ation/ |                      | EPA Fathead     |
|       |      |   |        |                      | Minnow database |
|       |      |   | Ac     |                      | (e.g.,          |
|       |      |   | etylch |                      | REACTIVE_1,     |
|       |      |   | olines |                      | \_2, \_3, \_4)  |
|       |      |   | terase |                      | corresponding   |
|       |      |   | inhib  |                      | to a single MOA |
|       |      |   | ition/ |                      | with different  |
|       |      |   |        |                      | levels of       |
|       |      |   | Respi  |                      | confidence      |
|       |      |   | ratory |                      | (A,B,C,D) have  |
|       |      |   | b      |                      | been collapsed  |
|       |      |   | locker |                      | into a single   |
|       |      |   | or     |                      | MOA field for   |
|       |      |   | inhi   |                      | the DSSTox SDF  |
|       |      |   | bitor/ |                      | (e.g.,          |
|       |      |   |        |                      | REACTIVE). The  |
|       |      |   | Electr |                      | level of        |
|       |      |   | ophile |                      | confidence is   |
|       |      |   | or     |                      | specified in a  |
|       |      |   | pro    |                      | newly added     |
|       |      |   | electr |                      | field,          |
|       |      |   | ophile |                      | **MO            |
|       |      |   | react  |                      | A_Confidence**. |
|       |      |   | ivity/ |                      | In addition,    |
|       |      |   |        |                      | some common MOA |
|       |      |   | C      |                      | categories that |
|       |      |   | entral |                      | were listed     |
|       |      |   | n      |                      | separately for  |
|       |      |   | ervous |                      | chemical        |
|       |      |   | system |                      | classes were    |
|       |      |   | s      |                      | combined into   |
|       |      |   | eizure |                      | the single MOA  |
|       |      |   | or     |                      | category and    |
|       |      |   | stim   |                      | symbols in MOA  |
|       |      |   | ulant/ |                      | names were      |
|       |      |   |        |                      | eliminated:     |
|       |      |   | Neur   |                      |                 |
|       |      |   | odepre |                      | NARC_ACRYLATE = |
|       |      |   | ssant/ |                      | NARCOSIS III    |
|       |      |   |        |                      |                 |
|       |      |   | MOA    |                      | NARCO_ESTER =   |
|       |      |   | not    |                      | NARCOSIS III    |
|       |      |   | dete   |                      |                 |
|       |      |   | rmined |                      | NARC_AMINE =    |
|       |      |   | due to |                      | NARCOSIS II     |
|       |      |   | insuff |                      |                 |
|       |      |   | icient |                      | NARCOSIS_I&II = |
|       |      |   | evi    |                      | NARCOSIS I and  |
|       |      |   | dence/ |                      | II              |
|       |      |   |        |                      |                 |
|       |      |   | MOA    |                      | EMPTY = ND      |
|       |      |   | not    |                      |                 |
|       |      |   | dete   |                      | EPAFHM_v4a      |
|       |      |   | rmined |                      | eliminates      |
|       |      |   | due to |                      | abbreviations   |
|       |      |   | confl  |                      | for MOA         |
|       |      |   | icting |                      | Categories:     |
|       |      |   | evi    |                      |                 |
|       |      |   | dence/ |                      | > NARCOSIS I =  |
|       |      |   |        |                      | > Baseline      |
|       |      |   | MOA    |                      | > narcosis      |
|       |      |   | not    |                      | >               |
|       |      |   | dete   |                      | > NARCOSIS II = |
|       |      |   | rmined |                      | > Polar         |
|       |      |   | either |                      | > narcosis      |
|       |      |   | due to |                      | >               |
|       |      |   | lack   |                      | > NARCOSIS III  |
|       |      |   | of     |                      | > = Narcosis    |
|       |      |   | to     |                      | > III primarily |
|       |      |   | xicity |                      | > observed in   |
|       |      |   | at     |                      | > esters and    |
|       |      |   | satu   |                      | > some          |
|       |      |   | ration |                      | > acrylates     |
|       |      |   | or     |                      | >               |
|       |      |   | late   |                      | > NARCOSIS I    |
|       |      |   | test   |                      | > and II =      |
|       |      |   | r      |                      | > Identified as |
|       |      |   | esult/ |                      | > both Narcosis |
|       |      |   |        |                      | > I & II        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > UNCOUPLER =   |
|       |      |   |        |                      | > Uncoupler of  |
|       |      |   |        |                      | > oxidative     |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | phosphorylation |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > ACHE =        |
|       |      |   |        |                      | > Acety         |
|       |      |   |        |                      | lcholinesterase |
|       |      |   |        |                      | > inhibition    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > BLOCKER =     |
|       |      |   |        |                      | > Respiratory   |
|       |      |   |        |                      | > bl            |
|       |      |   |        |                      | ocker/inhibitor |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > REACTIVE =    |
|       |      |   |        |                      | > Electrophile/ |
|       |      |   |        |                      | proelectrophile |
|       |      |   |        |                      | > reactivity    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NEUROTOX =    |
|       |      |   |        |                      | > Central       |
|       |      |   |        |                      | > nervous       |
|       |      |   |        |                      | > system        |
|       |      |   |        |                      | > se            |
|       |      |   |        |                      | izure/stimulant |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NEURODEP =    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | Neurodepressant |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > UNSURE = MOA  |
|       |      |   |        |                      | > could not be  |
|       |      |   |        |                      | > determined -  |
|       |      |   |        |                      | > insufficient  |
|       |      |   |        |                      | > evidence      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > MIXED = MOA   |
|       |      |   |        |                      | > could not be  |
|       |      |   |        |                      | > determined -  |
|       |      |   |        |                      | > conflicting   |
|       |      |   |        |                      | > evidence      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > ND = MOA was  |
|       |      |   |        |                      | > not           |
|       |      |   |        |                      | > determined    |
|       |      |   |        |                      | > either        |
|       |      |   |        |                      | > because the   |
|       |      |   |        |                      | > chemical was  |
|       |      |   |        |                      | > not toxic at  |
|       |      |   |        |                      | > saturation or |
|       |      |   |        |                      | > the test      |
|       |      |   |        |                      | > result was    |
|       |      |   |        |                      | > obtained      |
|       |      |   |        |                      | > after the MOA |
|       |      |   |        |                      | > analysis was  |
|       |      |   |        |                      | > conducted.    |
+-------+------+---+--------+----------------------+-----------------+
| ##    | def  | # | High/  | Level of confidence  | Field added to  |
|  MOA_ | ined | # |        | placed in **MOA**    | DSSTox SDF to   |
| Confi | text | # | Hi     | classification based | accommodate     |
| dence |      | # | gh-Mod | on available         | information     |
|       |      |   | erate/ | evidence:            | that had        |
|       |      |   |        |                      | previously been |
|       |      |   | Mod    | > High =             | combined into   |
|       |      |   | erate/ | > **Fish             | MOA field in    |
|       |      |   |        | ActuteToxSyndrome**, | original EPA    |
|       |      |   | Low/   | > joint toxicity     | Fathead Minnow  |
|       |      |   |        | > (                  | database, e.g.: |
|       |      |   | ####   | **MOA_MixtureTest**) |                 |
|       |      |   |        | > determination      | MOA=REACTIVE_1  |
|       |      |   |        | > and/or             | converts to     |
|       |      |   |        | > chemical-specific  | MOA=REACTIVE,   |
|       |      |   |        | > literature         | MOA_Confidence  |
|       |      |   |        | > confirmation;      | =A              |
|       |      |   |        | >                    |                 |
|       |      |   |        | > High-Moderate =    | MOA=REACTIVE_2  |
|       |      |   |        | > *                  | converts to     |
|       |      |   |        | *FishBehaviorTest**, | MOA=REACTIVE,   |
|       |      |   |        | > **LC50_Ratio**,    | M               |
|       |      |   |        | > and                | OA_Confidence=B |
|       |      |   |        | > **E                |                 |
|       |      |   |        | xcessToxicityIndex** | etc.            |
|       |      |   |        | > value all          |                 |
|       |      |   |        | > consistent with    | Previous        |
|       |      |   |        | > structurally       | ranking A-D     |
|       |      |   |        | > similar chemical   | replaced with   |
|       |      |   |        | > with MOA           | High (A),       |
|       |      |   |        | > assignment and     | High-Moderate   |
|       |      |   |        | > "High" level       | (B), Moderate   |
|       |      |   |        | > confidence; also   | (C), Low (D).   |
|       |      |   |        | > if **LC50_Ratio**  |                 |
|       |      |   |        | > and **TOXINDEX**   |                 |
|       |      |   |        | > consistent with    |                 |
|       |      |   |        | > prototypical       |                 |
|       |      |   |        | > compound in MOA    |                 |
|       |      |   |        | > group;             |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > Moderate = less    |                 |
|       |      |   |        | > than 3             |                 |
|       |      |   |        | > "High-Moderate"    |                 |
|       |      |   |        | > components, but    |                 |
|       |      |   |        | > additional         |                 |
|       |      |   |        | > supporting         |                 |
|       |      |   |        | > information        |                 |
|       |      |   |        | > available (such as |                 |
|       |      |   |        | > co                 |                 |
|       |      |   |        | ncentration/response |                 |
|       |      |   |        | > slope, behavior    |                 |
|       |      |   |        | > comments, chemical |                 |
|       |      |   |        | > similarity to      |                 |
|       |      |   |        | > prototypical       |                 |
|       |      |   |        | > compound);         |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > Low = no           |                 |
|       |      |   |        | > confidence in MOA  |                 |
|       |      |   |        | > classification due |                 |
|       |      |   |        | > to insufficient    |                 |
|       |      |   |        | > data;              |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > *"blank"* or null  |                 |
|       |      |   |        | > entry indicates no |                 |
|       |      |   |        | > MOA assigned hence |                 |
|       |      |   |        | > no level of        |                 |
|       |      |   |        | > confidence listed. |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## M  | def  | # | Ba     | If a mixture test    | Replaces        |
| OA_Mi | ined | # | seline | was conducted and    | MIXINDEX field  |
| xture | text | # | nar    | the chemical was     | in original EPA |
|       |      | # | cosis; | additive with a      | Fathead Minnow  |
| ##    |      |   |        | chemical of known    | database, with  |
|  Test |      |   | Polar  | **MOA** as described | numerical index |
|       |      |   | nar    | by Broderius et al.  | entry replaced  |
| *     |      |   | cosis/ | \[4\], an **MOA**    | by the          |
| **(no |      |   |        | was assigned (see    | corresponding   |
| space |      |   | Unc    | MOA field            | **MOA** text as |
| s)*** |      |   | oupler | definitions);        | follows:        |
|       |      |   | of     |                      |                 |
|       |      |   | oxi    | *"blank"* or null    | > 0= *blank*    |
|       |      |   | dative | entry indicates no   | > (no mixture   |
|       |      |   | phos   | mixture test was     | > test)         |
|       |      |   | phoryl | performed.           | >               |
|       |      |   | ation/ |                      | > 1= NARCOSIS I |
|       |      |   |        |                      | >               |
|       |      |   | Respi  |                      | > 2 = NARCOSIS  |
|       |      |   | ratory |                      | > II            |
|       |      |   | b      |                      | >               |
|       |      |   | locker |                      | > 12 = NARCOSIS |
|       |      |   | or     |                      | > I and II      |
|       |      |   | inhi   |                      | >               |
|       |      |   | bitor/ |                      | > 3= UNCOUPLER  |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > 4= BLOCKER    |
|       |      |   |        |                      |                 |
|       |      |   |        |                      | EPAFHM_v4a      |
|       |      |   |        |                      | eliminates      |
|       |      |   |        |                      | abbreviations   |
|       |      |   |        |                      | for MOA         |
|       |      |   |        |                      | Categories:     |
|       |      |   |        |                      |                 |
|       |      |   |        |                      | > NARCOSIS I =  |
|       |      |   |        |                      | > Baseline      |
|       |      |   |        |                      | > narcosis      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NARCOSIS II = |
|       |      |   |        |                      | > Polar         |
|       |      |   |        |                      | > narcosis      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NARCOSIS I    |
|       |      |   |        |                      | > and II =      |
|       |      |   |        |                      | > Identified as |
|       |      |   |        |                      | > both Narcosis |
|       |      |   |        |                      | > I & II        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > UNCOUPLER =   |
|       |      |   |        |                      | > Uncoupler of  |
|       |      |   |        |                      | > oxidative     |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | phosphorylation |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > BLOCKER =     |
|       |      |   |        |                      | > Respiratory   |
|       |      |   |        |                      | > bl            |
|       |      |   |        |                      | ocker/inhibitor |
+-------+------+---+--------+----------------------+-----------------+
| ##    | num  | # | \#     | Ratio of the         |                 |
|  Exce | eric | # |        | predicted toxicity   |                 |
| ssTox |      | # |        | of the compound      |                 |
| icity |      | # |        | using Baseline       |                 |
|       |      |   |        | narcosis (Narcosis   |                 |
| ##    |      |   |        | I) QSAR equation of  |                 |
| Index |      |   |        | Veith et al. \[5\]:  |                 |
|       |      |   |        |                      |                 |
| *     |      |   |        | > Log molar LC50 =   |                 |
| **(no |      |   |        | > -0.94 log*P* +     |                 |
| space |      |   |        | > log(0.000068\**P*  |                 |
| s)*** |      |   |        | > +1) -- 1.25        |                 |
|       |      |   |        |                      |                 |
|       |      |   |        | (*P*=octanol/water   |                 |
|       |      |   |        | partition coeff),    |                 |
|       |      |   |        | divided by the       |                 |
|       |      |   |        | actual LC50, used as |                 |
|       |      |   |        | a measure of excess  |                 |
|       |      |   |        | toxicity. Values     |                 |
|       |      |   |        | greater than 10 are  |                 |
|       |      |   |        | considered           |                 |
|       |      |   |        | indicative of        |                 |
|       |      |   |        | compounds not acting |                 |
|       |      |   |        | by Baseline narcosis |                 |
|       |      |   |        | (Narcosis I) mode of |                 |
|       |      |   |        | action. Contributes  |                 |
|       |      |   |        | to determination of  |                 |
|       |      |   |        | level of confidence  |                 |
|       |      |   |        | of MOA assignment.   |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## Fi | def  | # | Ba     | If a fish acute      | MOA codes used  |
| shAcu | ined | # | seline | toxicity syndrome    | in the original |
| teTox | text | # | nar    | (FATS) test was      | EPA Fathead     |
|       |      | # | cosis/ | conducted using      | Minnow database |
| #     |      |   |        | rainbow trout as     | field have been |
| # Syn |      |   | Polar  | described by McKim   | replaced with   |
| drome |      |   | nar    | et al. \[6,7\], the  | the             |
|       |      |   | cosis/ | MOA that was         | corresponding   |
| *     |      |   |        | determined from that | MOA name in     |
| **(no |      |   | Unc    | test is listed. FATS | DSSTox SDF:     |
| space |      |   | oupler | MOA assignments      |                 |
| s)*** |      |   | of     | consistent with MOA  | > N-1 =         |
|       |      |   | oxi    | assignment of        | > NARCOSIS I    |
|       |      |   | dative | chemical from other  | >               |
|       |      |   | phos   | indicators for       | > N-2 =         |
|       |      |   | phoryl | fathead minnow       | > NARCOSIS II   |
|       |      |   | ation/ | provide the highest  | >               |
|       |      |   |        | level of confidence  | > UNC =         |
|       |      |   | Respi  | (A) to the chemical  | > UNCOUPLER     |
|       |      |   | ratory | MOA assignment (see  | >               |
|       |      |   | b      | MOA field            | > RBK =         |
|       |      |   | locker | definitions);        | > (Respiratory) |
|       |      |   | or     |                      | > BLOCKER       |
|       |      |   | inh    | *"blank"* or null    | >               |
|       |      |   | ibitor | entry indicates no   | > IRR =         |
|       |      |   | /      | FATS test was        | > (Irritants)   |
|       |      |   |        | performed.           | > REACTIVE      |
|       |      |   | Electr |                      | >               |
|       |      |   | ophile |                      | > ACH = ACHE    |
|       |      |   | or     |                      |                 |
|       |      |   | pro    |                      | EPAFHM_v4a      |
|       |      |   | electr |                      | eliminates      |
|       |      |   | ophile |                      | abbreviations   |
|       |      |   | reac   |                      | for MOA         |
|       |      |   | tivity |                      | Categories:     |
|       |      |   | /      |                      |                 |
|       |      |   |        |                      | > NARCOSIS I =  |
|       |      |   | Ac     |                      | > Baseline      |
|       |      |   | etylch |                      | > narcosis      |
|       |      |   | olines |                      | >               |
|       |      |   | terase |                      | > NARCOSIS II = |
|       |      |   | inhib  |                      | > Polar         |
|       |      |   | ition/ |                      | > narcosis      |
|       |      |   |        |                      | >               |
|       |      |   | *      |                      | > NARCOSIS III  |
|       |      |   | blank* |                      | > = Narcosis    |
|       |      |   |        |                      | > III primarily |
|       |      |   |        |                      | > observed in   |
|       |      |   |        |                      | > esters and    |
|       |      |   |        |                      | > some          |
|       |      |   |        |                      | > acrylates     |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NARCOSIS I    |
|       |      |   |        |                      | > and II =      |
|       |      |   |        |                      | > Identified as |
|       |      |   |        |                      | > both Narcosis |
|       |      |   |        |                      | > I & II        |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > UNCOUPLER =   |
|       |      |   |        |                      | > Uncoupler of  |
|       |      |   |        |                      | > oxidative     |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | phosphorylation |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > ACHE =        |
|       |      |   |        |                      | > Acety         |
|       |      |   |        |                      | lcholinesterase |
|       |      |   |        |                      | > inhibition    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > BLOCKER =     |
|       |      |   |        |                      | > Respiratory   |
|       |      |   |        |                      | > bl            |
|       |      |   |        |                      | ocker/inhibitor |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > REACTIVE =    |
|       |      |   |        |                      | > Electrophile/ |
|       |      |   |        |                      | proelectrophile |
|       |      |   |        |                      | > reactivity    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NEUROTOX =    |
|       |      |   |        |                      | > Central       |
|       |      |   |        |                      | > nervous       |
|       |      |   |        |                      | > system        |
|       |      |   |        |                      | > se            |
|       |      |   |        |                      | izure/stimulant |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > NEURODEP =    |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | Neurodepressant |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > UNSURE = MOA  |
|       |      |   |        |                      | > could not be  |
|       |      |   |        |                      | > determined -  |
|       |      |   |        |                      | > insufficient  |
|       |      |   |        |                      | > evidence      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > MIXED = MOA   |
|       |      |   |        |                      | > could not be  |
|       |      |   |        |                      | > determined -  |
|       |      |   |        |                      | > conflicting   |
|       |      |   |        |                      | > evidence      |
|       |      |   |        |                      | >               |
|       |      |   |        |                      | > ND = MOA was  |
|       |      |   |        |                      | > not           |
|       |      |   |        |                      | > determined    |
|       |      |   |        |                      | > either        |
|       |      |   |        |                      | > because the   |
|       |      |   |        |                      | > chemical was  |
|       |      |   |        |                      | > not toxic at  |
|       |      |   |        |                      | > saturation or |
|       |      |   |        |                      | > the test      |
|       |      |   |        |                      | > result was    |
|       |      |   |        |                      | > obtained      |
|       |      |   |        |                      | > after the MOA |
|       |      |   |        |                      | > analysis was  |
|       |      |   |        |                      | > conducted.    |
+-------+------+---+--------+----------------------+-----------------+
| ## F  | def  | # | TYPE I | Behavior signs of    | Hyphens used in |
| ishBe | ined | # | Dep    | stress were          | original        |
| havio | text | # | ressed | identified for       | database have   |
| rTest |      | # | motor  | fathead minnows      | been            |
|       |      |   | act    | exposed to toxicants | eliminated,     |
| *     |      |   | ivity/ | and were used to     | e.g.,           |
| **(no |      |   |        | classify chemicals   |                 |
| space |      |   | TYPE   | into three           | TYPE I-ID       |
| s)*** |      |   | II     | behavioral syndromes | converts to     |
|       |      |   | Hypera | as described by      | TYPE I ID       |
|       |      |   | ctive/ | Drummond and Russom  |                 |
|       |      |   |        | \[8\]. These were    | Abbreviations   |
|       |      |   | TYPE   | used to determine    | eliminated in   |
|       |      |   | III    | level of confidence  | v4a:            |
|       |      |   | Spont  | of MOA assignment:   |                 |
|       |      |   | aneous |                      | > CONFLICT =    |
|       |      |   | motor  | > TYPE I = depressed | > conflicting   |
|       |      |   | act    | > locomotor activity | > information   |
|       |      |   | ivity/ | > with little or no  |                 |
|       |      |   |        | > response to        | EL = refers to  |
|       |      |   | Confl  | > outside stimuli,   | tests conducted |
|       |      |   | icting | > darkened body      | in electronic   |
|       |      |   | inform | > color, most fish   | diluter systems |
|       |      |   | ation; | > dead by 24 h       |                 |
|       |      |   |        | >                    | ID =            |
|       |      |   | Tested | > TYPE II =          | insufficient    |
|       |      |   | in     | > hyperactive,       | data            |
|       |      |   | elec   | > usually            |                 |
|       |      |   | tronic | > overreactive to    | PHPROB =        |
|       |      |   | d      | > outside stimuli,   | indicates pH    |
|       |      |   | iluter | > death typically    | problem with    |
|       |      |   | s      | > within several     | study           |
|       |      |   | ystem; | > days of exposure   |                 |
|       |      |   |        | >                    |                 |
|       |      |   | Insuff | > TYPE III =         |                 |
|       |      |   | icient | > spontaneous        |                 |
|       |      |   | data;  | > locomotor          |                 |
|       |      |   |        | > activity, high     |                 |
|       |      |   | pH     | > incidence of       |                 |
|       |      |   | pr     | > convulsion,        |                 |
|       |      |   | oblem/ | > spasms, tetany,    |                 |
|       |      |   |        | > scoliosis,         |                 |
|       |      |   |        | > lordosis, and/or   |                 |
|       |      |   |        | > hemorrhaging in    |                 |
|       |      |   |        | > vertebral column   |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > Additional notes   |                 |
|       |      |   |        | > provided to        |                 |
|       |      |   |        | > indicate problems  |                 |
|       |      |   |        | > in determining     |                 |
|       |      |   |        | > behavioral         |                 |
|       |      |   |        | > syndrome;          |                 |
|       |      |   |        | >                    |                 |
|       |      |   |        | > *"blank"* or null  |                 |
|       |      |   |        | > entry indicates no |                 |
|       |      |   |        | > checklist          |                 |
|       |      |   |        | > completed for      |                 |
|       |      |   |        | > bioassay.          |                 |
+-------+------+---+--------+----------------------+-----------------+
| ## N  | memo | # | *Text* | Field used to        | EPAFHM-specific |
| ote_E |      | # |        | provide              | information     |
| PAFHM |      | # |        | supplementary        | pertaining to   |
|       |      | # |        | Source-specific      | the chemical    |
|       |      |   |        | information          | record          |
|       |      |   |        | pertaining to the    | previously      |
|       |      |   |        | chemical and         | included in     |
|       |      |   |        | toxicity fields.     | *               |
|       |      |   |        |                      | *ChemicalNote** |
|       |      |   |        |                      | field has been  |
|       |      |   |        |                      | moved to this   |
|       |      |   |        |                      | field.          |
+-------+------+---+--------+----------------------+-----------------+
|       |      |   |        |                      |                 |
+-------+------+---+--------+----------------------+-----------------+

**Additional EPAFHM references:**

1\. Anderson, E., G.D. Veith, and D. Weininger (1987) SMILES: A line
notation and computerized interpreter for chemical structure.
EPA/600/M-87-021. Technical Report. U.S. Environmental Protection
Agency, Environmental Research Laboratory, Duluth, MN, USA.

2\. CLOGP™ program version 3.4 and STARLIST database, respectively,
within the UDRIVE system version 3.53, 1988, from Pomona College
Medicinal Chemistry Project, Claremont, CA.

3\. Hamilton, M.A., R.C. Russo, and R.V. Thurston (1977) Trimmed
Spearman-Karber method for estimating median lethal concentrations in
toxicity bioassays. *Environ. Sci. & Technol.* 11: 714-719. Correction
12: 417.

4\. Broderius, S., M. Kahl, and M. Hoglund (1995) Use of Joint Toxic
Response to define the primary mode of toxic action for diverse
industrial organic chemicals. *Environ Toxicol Chem* 14: 1591-1605.

5\. Veith, G. D., D.J. Call, and L.T. Brooke (1983) Structure-toxicity
relationships for the fathead minnow, *Pimephales promelas*: narcotic
industrial chemicals. *Can. J. Fish. Aquat. Sci.* 40: 743-748.

6\. McKim, J.M., P.K. Schmieder, R.W. Carlson, E.P. Hunt, and G.J. Niemi
(1987) Use of respiratory-cardiovascular responses of rainbow trout
(*Salmo gairdneri*) in identifying Fish Acute Toxicity Syndromes. Part
I. Pentachlorophenol, 2,4-dinitrophenol, tricaine methanesulfonate, and
1-octanol. *Environ. Toxicol. Chem.* 6: 295-312.

7\. McKim, J.M., P.K. Schmieder, G.J. Niemi, R.W. Carlson, and T.R.
Henry (1987) Use of respiratory-cardiovascular responses of rainbow
trout (*Salmo gairdneri*) in identifying Fish Acute Toxicity Syndromes.
Part II. Malathion, carbaryl, acrolein, and benzaldehyde. *Environ.
Toxicol. Chem.* 6: 313-328.

8\. Drummond, R.A. and C.L. Russom (1990) Behavioral toxicity syndromes:
A promising tool for assessing toxicity mechanisms in juvenile fathead
minnows. *Environ. Toxicol. Chem.* 9: 37-46.