10967/83 - QDB Compounds

QsarDB Repository

Aptula, A.O.; Jeliazkova, N.G.; Schultz, T.W.; Cronin, M.T.D. The Better Predictive Model: High q2 for the Training Set or Low Root Mean Square Error of Prediction for the Test Set?. QSAR Comb. Sci. 2005, 24, 3, 385–396.

Compound

ID:113
Name:2-tert-butyl-4-methylphenol
Description:
Labels:training
CAS:2409-55-4
InChi Code:

Properties

MOA: Mode of action

ValueSource or prediction
Polar narcotic

experimental value

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
1.30

experimental value

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