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:c19
Name:Chlordane
Description:Property information Species: Mouse Sex: M/F Cancer site: Liver
Labels:
CAS:
InChi Code:InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2

Properties

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

ValueSource or prediction
0.35

experimental value

Carc_class: Carciogenic class i

ValueSource or prediction
P

experimental value

N

Eq.2: LDA model (Training set)

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

ValueSource or prediction
3.068

experimental value

1.657

Eq.3: PLS model (Training set)

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