10967/234 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Using combined docking, chemical fingerprints, and Bayesian classifiers for the androgen receptor binding activity of the CoMPARA data. Toxicological Sciences 2020.

Compound

ID:7779-78-4
Name:4-Methyl-1-phenyl-2-pentanol
Description:
Labels:eval
CAS:7779-78-4
InChi Code:InChI=1S/C12H18O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.098958317

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)