10967/181 - QDB Compounds

QsarDB Repository

Gramatica, P.; Chirico, N.; Papa, E.; Cassani, S.; Kovarich, S. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models. Journal of Computational Chemistry 2013, 34, 2121–2132.

Compound

ID:16
Name:trichloromethane
Description:
Labels:Training
CAS:67-66-3
InChi Code:InChI=1S/CHCl3/c2-1(3)4/h1H

Properties

PBT_Index: PBT Index i

ValueSource or prediction
0.33

experimental value

0.418

Eq1: Full model (Training set)

0.468

Eq2: Split model (Training set)

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