18 Integrating QSAR, Read-Across, and Screening Tools …
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Table 18.1 List of the QSAR models within VEGA
Properties
Toxicological
Ecotoxicological
Environmental
Physicochemical
Mutagenicity (Ames test)
CONSENSUS model
(version 1.0.2)
Fish acute (LC50)
toxicity
classification
(SarPy/IRFMN)
(version 1.0.2)
BCF model
(CAESAR)
(version 2.1.14)
LogP model
(Meylan/Kowwin)
(version 1.1.4)
Mutagenicity (Ames test)
model (CAESAR) (version
2.1.13)
Fish acute (LC50)
toxicity model
(KNN/ReadAcross) (version
1.0.0)
BCF model
(Meylan) (version
1.0.3)
LogP model
(MLogP) (version
1.0.0)
Mutagenicity (Ames test)
model (SarPy/IRFMN)
(version 1.0.7)
Fish acute (LC50)
toxicity model
(NIC) (version
1.0.0)
BCF model
(KNN/read-across)
(version 1.1.0)
LogP model
(ALogP) (version
1.0.0)
Mutagenicity (Ames test)
model (ISS) (version 1.0.2)
Fathead minnow
LC50 96h (EPA)
(version 1.0.7)
kM/Half-life model
(Arnot/EpiSuite)
(version 1.0.0)
Mutagenicity (Ames test)
model (KNN/read-across)
(version 1.0.0)
Daphnia magna
LC50 48h (EPA)
(version 1.0.7)
Ready
biodegradability
model (IRFMN)
(version 1.0.9)
Carcinogenicity model
(CAESAR) (version 2.1.9)
Daphnia magna
LC50 48h
(DEMETRA)
(version 1.0.4)
Persistence
(sediment) model
(IRFMN) (version
1.0.0)
Carcinogenicity model
(ISS) (version 1.0.2)
Bee acute toxicity
model
(KNN/IRFMN)
(version 1.0.0)
Persistence (soil)
model (IRFMN)
(version 1.0.0)
Carcinogenicity model
(IRFMN/Antares) (version
1.0.0)
Persistence (water)
model (IRFMN)
(version 1.0.0)
Carcinogenicity model
(IRFMN/ISSCAN-CGX)
(version 1.0.0)
Developmental Toxicity
model (CAESAR) (version
2.1.7)
(continued)