10967/185 - QDB Compounds

QsarDB Repository

Kar, S.; Deeb, O.; Roy, K. Development of classification and regression based QSAR models to predict rodent carcinogenic potency using oral slope factor. Ecotoxicology and Environmental Safety 2012, 82, 85–95.

Compound

ID:c64
Name:1,1,1,2-Tetrachloroethane
Description:Property information Species: Mouse Sex: F Cancer site: Liver
Labels:
CAS:
InChi Code:InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2

Properties

OSF: Oral slope factor [mg/kg/d]

ValueSource or prediction
0.026

experimental value

Carc_class: Carciogenic class i

ValueSource or prediction
P

experimental value

P

Eq.2: LDA model (Validation set)

logMW_OSF: Carciogenicity [log(mmol/kg/d)] i

ValueSource or prediction
3.81

experimental value

3.194

Eq.3: PLS model (Validation set)

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