10967/64 - QDB Compounds

QsarDB Repository

Kaiser, K.L.; Niculescu, S.P.; Schultz, T.W. Probabilistic neural network modeling of the toxicity of chemicals to Tetrahymena pyriformis with molecular fragment descriptors. SAR QSAR Environ. Res. 2002, 13, 1, 57–67.

Compound

ID:31
Name:4-Heptanone
Description:
Labels:validation
CAS:123-19-3
InChi Code:

Properties

pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
-0.84

experimental value

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