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:c51
Name:4,4'-Methylenebis(N,N-dimethylaniline)
Description:Property information Species: Rat Sex: F Cancer site: Thyroid
Labels:
CAS:
InChi Code:InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3

Properties

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

ValueSource or prediction
0.046

experimental value

Carc_class: Carciogenic class i

ValueSource or prediction
P

experimental value

P

Eq.2: LDA model (Training set)

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