March 30, 2022

Improvements of QSAR Class Names
BeforeCO_X alcohol less unreactive (EO mitigated)

After
CO_X alcohol unreactive w/ EO

CO_X alcohol unreactive Fish

CO_X alcohol unreactive w/o EO Fish

COS_X ketone unreactive

COns_X ketone unreactive

CO_X ketone unreactive aliphatic

COns_X ketone unreactive aliphatic

COS_X ketone unreactive aromatic fish

COS_X ketone unreactive aromatic

CNO_X aldehyde aliphatic general

CNO_X aldehyde general aliphaticaldehyde aromatic general

CNO_X aldehyde general aromatic

COS_X ester unreactiveCNO_X ester unreactive

reactive phenol w/o 14- 12- (OH, NH2), w/o nito

phenol reactive w/o ortho,para-OH,NH2, w/o nitro

phenol unreactive

phenol unreactive unhinderedphenol unreactive w/o X

phenol unreactive unhindered w/o X

phenol unreactive excl. Diphenylether HRAC Ea

phenol unreactive unhindered excl. Diphenylether HRAC Ea

CNO_X amine NH2 reactive H (n, (OH, NH2) parent)

CNOS_X amine primary reactive w/o ortho,para-OH,NH2

amine unreactive NH2 >1

amine primary unreactive NH2 >1

amine unreactive NH2 =1 aliphatic

amine primary unreactive NH2 =1 aliphatic

amine unreactive aromatic w/ NO2, SO2 w/o o-C

amine primary unreactive aromatic w/ NO2,SO w/o ortho-NH2

CN_X amine NH, N< reactive (o-, p- N,OH)

amine sec, tert reactive w/ ortho,para-N,OH

CN_X amine unreactive NH, N< aromatic

CN_X amine sec, tert unreactive aromatic

CN_X amine unreactive NH, N< aliphatic

CN_X amine sec, tert unreactive aliphatic

CNO_X amine unreactive NH, N< aliphatic

CNO_X amine sec, tert unreactive aliphatic

CNOS_X basic aromatic n unreactive, excl. triazine

CNOS_X aromatic n unreactive, excl. triazine

CN_X nitril unreactive aliphatic

CN_X nitrile unreactive aliphatic

CN_X nitril unreactive

CN_X nitrile unreactive

CNOS_X amide unreactive

CNO_X amide unreactive

CNOSP_X phosphorus unreactive (no IRAC, HRAC, reactive alcohol)

CNOSP_X phosphorus unreactive

tentative CNOS_X halogen, unreactive

CNOS_X halogen unreactive

Cnos_X reactive fish, excl. n,cC=C

Cnos_X heteroaromatic reactive Fish

Cnos_X unreactive fish, daphnid

Cnos_X heteroaromatic unreactive Fish, Daphnid

Cnos_X unreactive excl. HC

Cnos_X unreactive

C_X HC aromatic w/ X (unreactive )C_X unreactive aromatic w/ X

C_X aromatic HC wo X, R3=0

C_X unreactive aromatic w/o X, fused R3=0

C_X_aromatic w/o X, fused R=0

C_X unreactive aromatic w/o X, fused R=0

C_X HC w/ X (excl. Halomethane)

C_X unreactive aliphatic w/ X, excl. Halomethane

C_X HC w/ X (incl. Halomethane)

C_X unreactive halomethane

C_X HC aliphatic w/o X

C_X unreactive aliphatic w/o X

narcotic group (Fish acute)narcotic group Fish Acuteprimary alcohol SCAS

primary alcohol

CNOS_X amine aromatic lesstoxic

CNOS_X amine aromatic less toxic

CNOS_X amine sec, aliphatic or aromatic w/o n

CNOS_X amine sec, w/o nester mathacrylateester reactive methacrylate

CNOS_X N-hetero unreactive (w/o amine, aldoxime, carbamate)

CNOS_X N-hetero unreactive w/o amine, aldoxime, carbamate

CS_X thioether unreactive

CS_X sulfide unreactive

CO_X alcohol unreactive (w/o EO) (daphnid)

CO_X alcohol unreactive w/o EO Daphnid

CO_X alcohol unreactive

CO_X alcohol unreactive w/o EO Daphnid

COS_X ester unreactive

CNO_X ester unreactive

CNO_X ester unreactive (Daphnid)

CNO_X ester unreactive Daphnid

phenol hinderedphenol unreactive hinderedphenol unreactive

phenol unreactive unhinderedphenol unreactive w/o X

phenol unreactive unhindered w/o X

phenol unreactive excl. Diphenylether HRAC Ea

phenol unreactive unhindered excl. Diphenylether HRAC Ea

amine unreactive aromatic w/ NO2, SO2 w/o o-C

amine primary unreactive aromatic w/ NO2,SO w/o ortho-NH2

CN_X amine unreactive NH, N< aromatic

CN_X amine sec, tert unreactive aromatic

CN_X amine unreactive NH, N< aliphatic

CN_X amine sec, tert unreactive aliphatic

CNOS_X aromatic n unreactive (daphnid)

CNOS_X aromatic n unreactive Daphnid

CNO_X amide unreactive (Daphnid)

CNO_X amide unreactive Daphnid

BeforeAfter

CNO_X nitro >1 w/o 4-halogen, NO2

CNO_X nitro >1 reactive w/o para-halogen,NO2

CNO_X nitro mono unreactive (Daphnid)

CNO_X nitro mono unreactive Daphnid

Cnos_X unreactive fish, daphnid

Cnos_X heteroaromatic unreactive Fish, Daphnid

Cnos_X unreactive excl. HC

Cnos_X unreactive

C_X HC aliphatic (unreactive ) w/ X

C_X unreactive aliphatic w/ X

C_X_aromatic w/o X, fused R=0

C_X unreactive aromatic w/o X, fused R=0

C_X w/ X, excl. gem-Cl2, 1,2-Cl2, TCE

C_X unreactive aliphatic w/ X, excl. gem,vic-Cl, TCE

narcotic group (Daphnid acute)narcotic group Daphnid Acute

CNOS_X amine sec, aliphatic or aromatic w/o n S(Daphnid)

CNO_X amine sec w/o n Daphnid

ester mathacrylateester reactive methacrylate

CNOS_X N-hetero unreactive (w/o amine, aldoxime, carbamate)

CNOS_X N-hetero unreactive w/o amine, aldoxime, carbamate

CO_X alcohol unreactive C-OH w/o (acid, EO)

CO_X alcohol unreactive w/o halogen, acid, EO

CO_X ester unreactive (Alga)

CNO_X ester unreactive Alga

CO_X ether unreactive excl HRAC (Alga)

CO_X ether unreactive excl HRAC Alga

phenol unreactive excl. Diphenylether HRAC Ea

phenol unreactive unhindered excl. Diphenylether HRAC Ea

CNOS_X basic aromatic n unreactive

aromatic n reactive

C_X HC w/ X (excl. Halomethane)

C_X unreactive aliphatic w/ X, excl. Halomethane

Cos_X excl. HC, pyridine (Alga, Daphnid)

Cnos_X unreactive excl. pyridine Alga

narcotic group (Alga acute)narcotic group Alga Acuteprimary alcohol SCAS

primary alcohol

C_X HC w/ w/o X (unreactive)

C_X HC unreactive

Cnos_X w/o n+ unreactive (Fish chronic)

Cnos_X unreactive Fish Chronic

narcotic group (Fish chronic)

narcotic group Fish Chronic

CO_X alcohol unreactive (w/o EO) (daphnid)

CO_X alcohol unreactive w/o EO Daphnid

COS_X ketone unreactive

COns_X ketone unreactive

CNO_X ester unreactive (Daphnid)

CNO_X ester unreactive Daphnid

CN_X amine unreactive NH, N<

CNO_X amine sec, tert unreactive w/ N-Oxide,N-N=O

CNOS_X basic aromatic n unreactive

CNOS_X aromatic n unreactive

CNOS_X aromatic n unreactive (daphnid)

CNOS_X aromatic n unreactive Daphnid

CNO_X amide unreactive (Daphnid)

CNO_X amide unreactive Daphnid

Cnos_X unreactive fish, daphnid

Cnos_X heteroaromatic unreactive Fish, Daphnid

Cnos_X unreactive excl. HC

Cnos_X unreactive

C_X_aromatic w/o X, fused R=0

C_X unreactive aromatic w/o X, fused R=0

C_X w/ X, excl. gem-Cl2, 1,2-Cl2, TCE

C_X unreactive aliphatic w/ X, excl. gem,vic-Cl, TCE

CO_X alcohol unreactive C-OH w/o (acid, EO)

CO_X alcohol unreactive w/o halogen, acid, EO

CO_X ester unreactive (Alga)

CNO_X ester unreactive Alga

CO_X ether unreactive excl HRAC (Alga)

CO_X ether unreactive excl HRAC Algaamine unreactive NH2 >1 Nv3 <3 (alga)amine primary unreactive NH2 >1, Nv3 <3

CNO_X amine unreactive NH, N< aliphatic

CNO_X amine sec, tert unreactive aliphaticCN_X amine NH, N< reactive (o-, p- N,OH)

amine sec, tert reactive w/ ortho,para-N,OH

CN_X amine unreactive NH, N<

CNO_X amine sec, tert unreactive w/ N-Oxide,N-N=O

CNOS_X basic aromatic n unreactive

aromatic n reactive

CNOSP_X phosphorus unreactive (no IRAC, HRAC, reactive alcohol)

CNOSP_X phosphorus unreactive

CNOS_X N-hetero unreactive (w/o amine, aldoxime, carbamate)

CNOS_X N-hetero unreactive w/o amine, aldoxime, carbamate