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:c31
Name:Dichlorvos
Description:Property information Species: Mouse, Rat Sex: M/F; M/F Cancer site: Forestomach, pancreas
Labels:
CAS:
InChi Code:InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

Properties

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

ValueSource or prediction
0.29

experimental value

Carc_class: Carciogenic class i

ValueSource or prediction
P

experimental value

P

Eq.2: LDA model (Training set)

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

ValueSource or prediction
2.882

experimental value

2.896

Eq.3: PLS model (Training set)

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