# Presentation: 120331

- Toxicology and Environmental Health Information on the Web
- _[http://toxnet.nlm.nih.gov](http://toxnet.nlm.nih.gov/)_
- New England Region, NN/LM
- July 2007

- TOXNET

*The NN/LM NER is funded by the National Library of Medicine under a contract  (#N01-LM-1-3518) with the University of Massachusetts Medical School in Worcester.*

## What is TOXNET?

- System of databases
- Information about toxicology, environmental health, hazardous chemicals, and toxic releases
- Developed by the Specialized Information Services division (SIS) of the National Library of Medicine (NLM)

## Where is TOXNET?

-    _[http://toxnet.nlm.nih.gov](http://toxnet.nlm.nih.gov/)_
- TOXNET is freely available on the web. No subscription, no passwords, no registration, no spam, no pop-up ads.

## TOXNET home page:

## TOXNET Resources

| Data Files | Literature Files | Chemical Dictionary | Toxic Releases | Mapping | Consumer Health |
| --- | --- | --- | --- | --- | --- |
| HSDB | TOXLINE | ChemIDplus | TRI | TOXMAP | Haz-Map |
| CCRIS | DART |  |  |  | Household Products |
| GENE-TOX |  |  |  |  |  |
| IRIS |  |  |  |  |  |
| ITER |  |  |  |  |  |
| Lact-Med |  |  |  |  |  |

**TOXNET** **Resources**

- Related Resources

## TOXNET Data Files

- There are 6 of them
- Click the  **?**
-    for additional information about each database

## Hazardous Substances Data Bank(HSDB)

- Data compiled by NLM
- 1 record per chemical
- 5,000 + records
- Human and animal toxicity
- Safety and handling
- Human health effects
- Emergency medical treatment
- Much more

## Integrated Risk Information System(IRIS)

- EPA data
- 550 + chemical records
- Risk assessment as a function of toxicity and exposure
- Contains consensus scientific positions and quantitative values on cancer and non-cancer effects that may result from lifetime oral or inhalation exposure to specific chemical substances in the environment

## International Toxicity Estimates for  Risk Assessment (ITER)

- From Toxicology Excellence for Risk Assessment (TERA)
- 650 + chemical records
- Contains data in support of human health risk assessment
- Provides comparisons of international risk assessment information in a side-by-side format and explains differences in risk values derived by different organizations.

## Genetic Toxicology / Mutagenicity(GENE-TOX)

- EPA data
- 3,214 chemical records
- Mutagenicity Studies
- Data structure: assay type, assay code, results, panel report, reference
- Note: Has not been updated since January, 2000.

## Chemical Carcinogenesis Research Information System (CCRIS)

- NCI data
- 9,000 + chemical records
- Carcinogenicity studies
- Tumor inhibition studies
- Tumor promotion studies
- Mutagenicity studies

## LactMed

- Database of drugs and chemicals to which breastfeeding moms may be exposed
- Levels in breast milk & infant blood
- Statements from the American Academy of Pediatrics re: a drug’s compatibility with breastfeeding
- Therapeutic alternatives
- Peer reviewed
- Over 550 records

## TOXNET Data Files

- Content differs from one data file to another
- But format, layout of results, features, and navigation are similar
- Learn the mechanics of one; know the mechanics of all

## Searching the Data Files

- Search by:
- Chemical name
- CAS Registry Number
- Text word searching allowed
- Truncation (*) – end of word
- AND, OR, NOT (must be in caps)
- Nested searching OK
- Phrase searching OK

## Data files can be search individually

- Select the database to be searched:
- Point the cursor at desired database
- Click

## Search will be conducted only in the chosen database

**Notes:**
Now, TOXNET shows that only the chosen database will be searched. As with searching ALL of TOXNET, simply enter search terms here and click “Search.” This will bring you to the same search results pages seen before.

## Or, search all TOXNET databases for information:

**Notes:**
This is the default search page in TOXNET. It automatically searches across all the TOXNET databases with a single click.

## Results are hyperlinked. Click a link to see results from that database:

**Notes:**
All databases in TOXNET have been searched for information about acetone. The number of hits from each database are listed and hyperlinked. Click on the link to access results from a specific database.
NOTE: The number of records found from a "Search All Databases" query may differ slightly from the results retrieved from searching the individual databases because a general query is used here, while a more focused search is used in the individual databases. 
Click on the hyperlink 2064 to see the results from HSDB.
(Search was done 6/19/2007)

## Slide 19

**Notes:**
Clicking on that hyperlink brings us here. This is the opening page of search results in TOXNET. Notice that under the SIS banner at the top, it clearly notes that these search results are from HSDB only. The blue boxes on the left hand side of the frame provide functionality and options. Notice, too, that the search box appears here with the search term, acetone, in it and there are three buttons adjacent to it: search, clear, and limits. It is possible to modify the search from this page. It is also possible to do a totally different search from here. Note the message: “Substance Names are sorted in relevancy ranked order.”  Also note that the first record shown is the PRIMARY RECORD for this chemical. Underneath the chemical name is the CAS Registry Number for this substance. Let’s look at the primary record in HSDB, one of the TOXNET data files, by clicking on the blue word “acetone” in result #1.

## Results in the Data Files

- Note this message in the results in the Data Files:

## Relevancy Ranking

- This is true of the relevancy ranking that occurs with all the Data files and the Special Results in the literature files.

## Slide 22

**Notes:**
Navigation and function buttons along the top of the page. The table of contents for this page is on the left. The text for this particular section, Human Health Effects, is displayed in the frame on the right. Note that the search terms are red in the text section – to make it easier to spot them. Let’s start with the table of contents.

## HSDB Contents

- Each of these content areas is like a book: click on the + sign to see the chapters
- Or, open or close all the books at once using the options in the upper right

**Notes:**
This is the default display for the content in HSDB. The + sign is the visual clue that each one of these items has additional content. Think of this in one of two ways: (1) Each of these content areas is like a book – click on the + sign to see the chapters; (2) Just as the MeSH tree has a broader to narrower arrangement, so does this content listing, with narrower content appearing under each broad category. Or, all the “books” can be opened at once using the box in the upper right hand corner of this frame that says “Expand all categories.” 

## “Chapters” for Human Health Effects

- The “+” sign has now morphed into a “–” sign indicating the book has been opened.
- Use these links to jump from one content area to another

**Notes:**
Here are the “chapters” for the book “Human Health Effects.” Each one of the content books can be “opened” in this way. The content listing is also a navigational help. To move directly to a section, click on the hyperlinked content area and that text will appear in the right hand frame. For example, to get to the section on Body Burden, simply click on the hyperlink and 

## Body Burden section in HSDB

- Body Burden section in HSDB

**Notes:**
This is what you’ll see in the text section on the right hand side of the frame – the Body Burden section. The original search terms are still in red (we’re still working off the same search). Notice that in HSDB, the guts of the database are short excerpts followed by bibliographic citations ( in case the searcher wants to read the original document this information came from) and a note at the end indicating the status of this information. In this particular entry, the status note is ** PEER REVIEWED ** This means that the data given has undergone peer review by the Scientific Review Panel or other high level review group. Other status tags in HSDB are: QC Review (meaning the data has been quality controlled but not yet reviewed by the Scientific Review Panel) and Unreviewed (which means pretty much just what it says) – the item has not yet been reviewed. 

## HSDB specific information

- While all the data files in TOXNET share similarities, content differs.
- HSDB is one of the most heavily used of the data files and has some unique content and attributes

## Records in HSDB consist of excerpts from books and reports along with the citation information for locating the complete document.

- Records are also tagged: PEER REVIEWED, QC REVIEWED or Unreviewed.

**Notes:**
In this particular entry, the status note is ** PEER REVIEWED ** This means that the data given has undergone peer review by the Scientific Review Panel or other high level review group. Other status tags in HSDB are: QC Review (meaning the data has been quality controlled but not yet reviewed by the Scientific Review Panel) and Unreviewed (which means pretty much just what it says) – the item has not yet been reviewed. 

## Review Tags in HSDB

**PEER REVIEWED:** This item has been peer reviewed by the Scientific Review Panel
**QC REVIEW:** This item has undergone quality control review but has not yet been reviewed by the Scientific Review Panel
**Unreviewed:** Means what it says

## Content areas of interest in HSDB

- Human Health Effects
- Emergency Medical Treatment
- Antidotes
- Physical & chemical properties
- Interactions
- Environmental fate & exposure
- Manufacturers
- Uses: therapeutic, business, etc.

## Data Files

- Remember, in the data files:
- Results look similar
- Navigate in the same manner
- Content varies from file to file

**Notes:**
Now, remember that the Data files are similar in layout of results, navigation, and features. Let’s take a look at some of those other Data Files.

## Slide 31

**Notes:**
Results from the IRIS database: Note the similarities (and differences) to the HSDB results. Similarites: page layout; search terms in red. Differences: the Contents section and the text in the right hand frame.

## Slide 32

**Notes:**
GENE-TOX results: Again, this is another of the DATA files. Note similarities (and differences) to the HSDB and IRIS results.

## Slide 33

**Notes:**
CCRIS: again, another DATA file.

## Navigation in the Data files

- Indicates the Data file in use

- Return to the TOXNET home page using this button

## Navigational Buttons:

-   Move through results in order

- Return to the initial list of search results

- Return to the initial search screen

- Alter the current search

## Other Files

- Allows searchers to jump directly to other Data Files that contain information on this substance

- Clicking on the **Other Files** button will bring up a menu of other TOXNET files that contain information on this substance.

- Click on a database name to access the record for this substance in that database.

**Notes:**
So, for the acetone search....Each of the databases listed in the menu here contain records about acetone. Click on a database name and see the results for acetone in, say, IRIS, or TOXLINE Core records. 

## Details of Search

- Use this button to see the terms and synonyms used in the search

- Here are the **Details** for the acetone search:

**Notes:**
The default in TOXNET is to allow the system to add synonyms to the search. It is recommended that this feature be used for effective searching. However, it is easy to turn the feature off – simply look under any search box for a phrase that says: For chemicals, add CAS numbers and synonyms to the search. Yes / NO.”  For a good example of many synonyms being added, search Tylenol and then look at the Details of Search. If the searcher really just wants references to the brand name, Tylenol, then turn off this feature and then run the search.

## Download data

- Allows all or parts of a record to be downloaded as a text file

- Click the **Download** button and a menu pops up. Select the desired sections and then click the gray Download button. Selected sections will appear in the browser window in text only format.

**Notes:**
This download menu is from an HSDB search, so the HSDB content areas appear. Use a different Data file and different content areas will appear in the Download dialog box. One thing that may sometimes be confusing about downloading records in TOXNET is that, in some browsers, the downloaded [text] record will appear in the computer window directly behind the download dialog box. The dialog box must be closed in order to see the record in text format. One of the nice features of this download function, though, is that the downloaded record(s) include the date the search was done, the database used, and the details of the search (CAS registry numbers and synonyms). Once the information has been downloaded, it can be printed using the browser’s print feature or saved as a text file or whatever....When finished with the downloaded (text) record, you may have to use the browser’s back button to return to the search results in their original format. Or, depending on your browser, you may be able to just close (X out of) the window showing the downloaded file.

## Browse Index

- This button allows users to see the Index for the database. This is similar to using the Index in a book.

- Clicking the **Browse Index** button returns the user to the initial search screen with this search box.
- Search the HSDB index for the term “sleepy” to see how this works

**Notes:**
TOXNET files contain an index. This feature is nice for looking for chemical names if unsure of the spelling. It is also nice for looking up text words.

## Slide 40

**Notes:**
To see all 10 records that contain the word “sleepy”, simply check the box next to the term and then click on “Select.” To move through the index, use the “Up” and “Down” boxes.

## Limiting a Search

- Use the **Limits** button to narrow or focus a search.

**Limits** can direct a database to search:
-  A single word term for an exact word match or as word variants;
-  For multi-word terms, as a phrase;
-  Or, it can direct the database to search for the term in a specified field only.
- Each option presented in **Limits** may serve to narrow a search and reduce retrieval.

## More on navigation...

- These buttons perform the same functions as the green navigation buttons detailed before.
- 3 new options appear: Save Checked Items, Sort, and History

## History

- Keeps track of searches done
- Click on the History button to access this feature
- Expires after 1 hour of inactivity

**Notes:**
For PubMed users – this History feature is a bit different. This history really will expire after one hour of inactivity, rather than the 8 hours that PubMed allows.

## Using History

- History keeps track of searches
- Combine searches *within a single database*
- Delete ALL history using the “Clear History” button

**Notes:**
Searches can be combined only within the same TOXNET database. 
For example, if my search #1 is in HSDB and my search #2 is in IRIS and my search #3 is in HSDB, I cannot combine my #1 (HSDB) and #2 (IRIS) searches – because they are in different databases. I could, however, combine my search #1 (HSDB) and my search #3 (also HSDB) because those are in the same database. NOTE: to combine searches, the combining word MUST be in capital letters as in the example on the History page. (This is just like PubMed.)

## Save checked items

- This feature allows users to pick selected results from the list and save them.
- If items are selected and saved:
- A box appears showing how many items have been saved and
- A new blue button appears saying “Display saved items”

**Notes:**
This feature is not as advanced as it could be. Searchers can’t page thru results, making selections and then “save” at the end. Selections must be saved on a per page basis. There is sometimes trouble retrieving the saved items, also. However, if this should happen, look in the History box – the selected items should appear there as a set by themselves.

## Sort

- Clicking on the Sort button brings up this option box in the data files:

**Notes:**
In the Data files, the only Sort option is Substance Name in Ascending (A-Z) or Descending (Z-A) order. The searcher also gets to choose how many records to sort. (The Descending order is most clearly demonstrated by doing a search for acetone, looking in the HSDB results (1960on 7/26/04) and then sorting in Descending order.) NOTE that once the sorting is done, the records are NO LONGER in relevancy ranked order. 

## TOXNET Data Files

- Can be searched simultaneously by using
- “Multi-Databases”

**Notes:**
Or the DATA files may be searched together by using the “Multi-Databases” file. Choose this option by clicking on it....

## Slide 48

**Notes:**
Here is a Multi-Databases search using the CAS registry number for acetone. Note that the default here is to search ALL the data files together. However, selections may be made to search any combination of the data files the searcher may desire.

## Slide 49

**Notes:**
Jump to results from a specific database by using the hyperlinked database names in the upper portion of the screen. Scroll down to review (1) the Primary records from each of the databases and then (2) the complete results from each database in relevancy ranked order.

## TOXNET’s 2 Literature Files

**Notes:**
TOXLINE and DART are the literature files in TOXNET. These are bibliographic files – much like what you’d find in PubMed, for example. 

## TOXLINE

- Toxicology literature online
- (TOX + LINE)
- The two parts of TOXLINE have been merged into a single unit for retrieval:
- TOXLINE Core  PubMed subset
- TOXLINE Special  in TOXNET
- Over 3.5 million records

**Notes:**
Covers pharmacological, biochemical, physiological, environmental, and toxicological effects of chemicals/other agents on living systems. TOXLINE Core is the Toxicology Subset “tox[sb]” of MEDLINE on PubMed. TOXLINE Special complements the Core, but there is a lot of overlap between the two files. The Special collection does contain items that are not available in the Core

## DART 

- Developmental and Reproductive Toxicology
-  The two parts of DART have been merged into a single unit for retrieval:
- DART Core  on PubMed
- DART Special  on TOXNET
- 100,000 + references to literature published since 1965

**Notes:**
DART Core is not a subset of MEDLINE on PubMed, but it is a preformulated search strategy

## More on the Literature Files

- Bibliographic records
- MeSH term searching available
- Keyword searching available
- CAS registry numbers searchable
- 1965 to present
- Automatic term mapping

**Notes:**
These are bibliographic files – meaning they contain citations to journal articles and abstracts (where available). There is no full text in the Special collections and limited full text available in the Core collections. These files may be searched using MeSH vocabulary, keywords, substance names, and CAS registry numbers. For the most part, this material is from 1965 to the present although there may be some older material found in the Core collections. The Core collections search PubMed and, as such, use Automatic term mapping. The search results from both the Core and the Special will be combined and presented in a single window. 

## 2 for the Price of 1

- Search the literature files and the results appear in _one_ window
- This is a change from the way results were displayed previously. In the past, results were returned in two separate windows.

**Notes:**
This change – from displaying results in 2 windows to displaying results in a single window – occurred in August, 2006.

## TOXNET Literature Files

- Content differs from one literature file to another
- But format, layout of results, features, and navigation are similar
- Learn the mechanics of one; know the mechanics of both

## Navigation in the Literature Files

- Same blue buttons as in the data files
- All function in the same manner except......

## Sort in the Literature Files

- There are more sort options in the literature files

## Using TOXLINE

**Notes:**
Search Toxline for passive smoking AND children done 6/19/2007

## Slide 59

**Notes:**
These are the TOXLINE search results from a search done 6/19/2007. 

## Click here to access this record in PubMed

- Search terms appear in red

- Terms in blue are hyperlinks. Click to retrieve more records with those terms.

## Limits

## Literature Files

- The DART files are searched with similar mechanics as the TOXLINE files
- Navigation the same

## TRI: Toxics Release Inventory

- EPA information regarding the release of certain toxic chemicals
- Reporting is mandated by law and does ***not*** cover _all_ industries or _all_ businesses
- Release years 1987 – 2005 data available in TOXNET

## TRI 

- Facility Identification
- Substance Identification
- Environmental release
- Waste treatment (on & off site)
- Source reduction and recycling

## Searching TRI

- Search by chemical name or CAS

-  Specify release amount and type

- Select a year or years

-  Search by facility name

- Search by location

- Search by SIC code

**Notes:**
Must choose the year or years for the TRI files
Must choose EITHER a chemical name OR a facility name OR facility location OR SIC code

## Searching for Augusta, ME

**Notes:**
Note the blue buttons on the left hand side of the search screen – all but one of these should be familiar from previous discussion. The Calculate Release! Button will be discussed shortly. Note that, in the results, the facility name is in blue and the compounds discussed in the record are in green – therefore, one company can have many entries in the results list (as shown here). Results can also be mapped using the “Map it with TOXMAP” button.

## Slide 67

**Notes:**
This looks a bit like the data files: table of contents on the left, navigational buttons on top, and content in the right-hand frame. The sorts of information contained in a record can be seen by taking a look at the table of contents. Again, the Map it with TOXMAP button appears....

## Search for methyl ethyl ketone

**Notes:**
Here’s my search. I could have used some shorthand and searched for MEK. I also could have chosen different reporting years.

## Slide 69

**Notes:**
The results screen looks like this. Now, click on the Calculate Release! Button....

## Calculate Release! button

- Use this for a tabular display of:
-    Total environmental
-    releases
-          +
-    Off-site waste transfers
- For all retrieved records

**Notes:**
TRI will total up the damage, so to speak... So, if I want to know about the release of methyl ethyl ketone in, say 2001, I would do the following search in TRI:

## Calculate Release!

**Notes:**
And here is the total result for methyl ethyl ketone, reporting year 2003 (done on 1/25/2006)

## Mapping results

- This button provides mapping capabilities
- Use it to see where the releases in question were located

**Notes:**
This is one of the newer functionalities of TOXNET’s TRI file. Click on the Map it button and a new web page opens up with a map. See the next slide for an example of this using the methyl ethyl ketone search.

## Slide 73

**Notes:**
This is just a brief example of the mapping functionality. There are tremendous capabilities here beyond what is shown. Additional layers can be added to the map (demographics from the 2000 census). The facilities listed on the right hand side link to brief displays about the release from that specific facility – and further links bring the searcher back to the TRI record. Note, too, that in the upper left hand box, the user can immediately search HSDB or ATSDR (Agency for Toxic Substances and Disease Registry) for information on methyl ethyl ketone. Explore this further on your own.

## ChemIDplus

- Chemical dictionary/directory file
- Two versions: “Lite” & Advanced
- 379,000 + chemical records
- 257,000 + structural records
- In the Advanced file only
- Requires JAVA or CHIME software (free)
- Direct link to other resources

**Notes:**
ChemIDplus is different from the other databases in TOXNET

## Searching ChemIDplus

- Search by chemical name or CAS Registry Number
- Click on “search” to retrieve results from the “Lite” version
- Use the Advanced button to access the Advanced capabilities

## Looking for information on ricin

**Notes:**
Look at ChemIDplus “Lite” for information on ricin. Type ricin in the search box and click on Search.....

## Slide 77

**Notes:**
File locators: These are NLM & non-NLM files that contain information on the substance searched. Click on the hyperlinked file name to access that information. Click on the blue “i” to retrieve information about the file itself. Note the navigational buttons on the right and the Basic Information on the left. 

## Click here for access to all the Basic Information on a single web page

- Describe the general category assigned by a given source to a chemical based on toxicity, use and application, pharmacologic and/or therapeutic category, and status on certain chemical lists.

- Gives a table of toxicity information by organism tested, test type, dose, effect, and source of the given information

- A description of a compound’s use and utility, often from MeSH controlled vocabulary

- Nice table of melting & boiling points, water solubility, vapor pressure, and more

- Names and synonyms associated with this substance

**Notes:**
Formulas, not described on the slide, refer to the molecular formula for this substance. Registry numbers, also not described on this slide, refer to the CAS registry number. Each of these “Basic Information” elements will open a new window & display the requested information. Close the window to return to the results page. NOTE that the physical properties will also give the pKa dissociation constant, the log P (octanol-water), Henry’s Log Constant, Atmospheric OH Rate Constant  

## More on ChemIDplus searching

- Misspellings?
- List of near matches to assist
- Select the appropriate term

**Notes:**
“Kardiolight” is a misspelling for a drug called Cardiolite – used in cardiac stress testing. The correct spelling appears on this list. Click it for access to information on this substance.

## Initial results for Cardiolite

**Notes:**
Cardiolite is the trade name for Technetium tc 99m sestamibi (aka “sestamibi”)
A note about the [USAN:BAN:INN] notation:
USAN = US Accepted Name
BAN = British Accepted Name
INN = International Nonproprietary Nomenclature
May also see JAN in this notation. JAN = Japanese Accepted Name
And, RN, is, of course, the CAS Registry number associated with this substance. Let’s take a look at the Full Record....

## Molecular formula

**Notes:**
Clicking on Full Record will open another window on the computer and this is the beginning of that record. The “Lite” version of ChemIDplus has the molecular formula for the substance in it’s text-based format. In the Advanced Version, 3-D structures are available. Continue to scroll down for the additional information contained in the Full Record: Names & Synonyms, the Formula in it’s hyphenated form (C36-H66-N6-O6-Tc), Classification Codes, Registry Numbers, Notes, and Locators. Close the window to return to the results.  

## ChemIDplus Advanced 

**Notes:**
This is the home page for ChemIDplus Advanced. On the right is a Structure Input Box. This can actually be used for drawing chemical / molecular structures to be used in searching this database. This class will not cover that particular. There is, however, a Help section for the Structure viewer that will give introductory information on how to use this feather. The rest of the page features several different search options. 

## Searching: One Option

- Type search terms
- here

- Choose:

- Set:

**Notes:**
ChemIDplus Advanced provides several searching options. Use this “Substance Identification” box to do text-based searches (for chemical names / synonyms) or enter the CAS number, the formula (in hyphenated notation) or choose a classification or locator code.

## More Search Options

- 1

- 2

- 3

- 4

**Notes:**
Toxicity -- for numeric toxicity data such as LD50 (Lethal Dose 50); 
2. Chemical Properties -- for numeric property data such as melting point, boiling point, vapor pressure, etc.  
3. Locator Codes -- to qualify a search by one or more databases which contain pertinent data 
4. Molecular Weight -- to range on the MW calculated from the structure 

## But wait, there’s more!

- Draw structures
- Search for substructures:
- Find the drawn structure embedded in other structures
- Do similarity searching

**Notes:**
ChemIDplus allows a user to either draw their own structure for searching, or to pull in a structure that has already been retrieved. To transfer a structure, the transfer icon can be clicked to bring this to the search page for editing. Click the blue “i” for additional info and see the Help document, also.

## Advantages of Advanced...

- So, what can ChemIDplus Advanced do that the “Lite” version can’t do?
- 3-D structures
- Structure-based searching
- Similarity searching
- More

## Searching for DEET

- Type
- Click Search

**Notes:**
Leave the two menu-based options as they are: Name/Synonym and Equals. Type in DEET in the search box, then click the Search Button.

## Results

- Click on any blue box to retrieve information.

- Or, click a link in the File Locator section to see the DEET information in that file.

**Notes:**
Clicking on any of the blue boxes will open up a new window displaying information. This method allows easy access to information about this substance.

## 3-D Structures: DEET

- There are two ways to access the 3-D structures:
- From the top of the initial results page, click
- Or, click the blue Structure button

**Notes:**
Using the “Enlarge Structure” link at the top of the results page will open a new window showing the 2-D structure. Scroll down to the bottom of that window to find the check box “Display 3-D model” – once checked, the model will display. 
 Using the blue Structure box, the 3-D model will be displayed automatically below the 2-D model.

## DEET molecular structure

**Notes:**
Once the model appears, the computer mouse can be used to rotate and move the model. Right-clicking on the mouse will also bring up a menu: the model’s appearance can be changed, it can be animated

## Similarity searching: DEET

- Use this box on the DEET results page

- or

- Use the Transfer Structure box to move the structure to the initial search page for ChemIDplus Advanced. Both similarity and substructure searches can be done there.

**Notes:**
The “Structure Similarity Search” box will automatically do the search. Transferring the substance to the initial search page allows some additional functionality – the user can set the percentage of similarity desired; and substructure searches can be done from there.

## Results of similarity searching

- The 1st result in the similarity list will be the substance searched: it is 100% similar to the query structure.
- The following substances will be labeled as to how similar they are to the original:

**Notes:**
Click on the hyperlink to find additional information about this substance.

## Added functionality

- Transfer the structure to the query page
- Do a similarity search for molecules 80% similar to *this* one
- Enlarge this structure and provide access to the 3-D model

## Additional Resources from SIS

**Household Products Database**
- _[http://hpd.nlm.nih.gov/](http://hpd.nlm.nih.gov/)_
**Toxtown**
- _[http://](http://toxtown.nlm.nih.gov/)__[toxtown.nlm.nih.gov](http://toxtown.nlm.nih.gov/)__[/](http://toxtown.nlm.nih.gov/)_
**Haz-Map **
- _[http://hazmap.nlm.nih.gov/](http://hazmap.nlm.nih.gov/)_
**DIRLINE**
- _[http://dirline.nlm.nih.gov/](http://dirline.nlm.nih.gov/)_

## And still more resources

**Wiser: Wireless Information System for Emergency Responders**
- _[http://wiser.nlm.nih.gov/](http://wiser.nlm.nih.gov/)_
**TOXMAP**
- _[http://](http://toxmap.aquilent.com/toxmap/main/index.jsp)__[toxmap.aquilent.com/toxmap/main/index.jsp](http://toxmap.aquilent.com/toxmap/main/index.jsp)_

## But wait! There’s more...

- Chemical Warfare Agents
- Biological Warfare Agents
- Arsenic and Human Health
- West Nile Virus: Pesticides used for mosquito control
- Environmental Justice Links
- Chemical Information Internet Links

## Specialized Information Services

- _[http://www.sis.nlm.nih.gov/index.html](http://www.sis.nlm.nih.gov/index.html)_