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:947-19-3
Name:(1-Hydroxycyclohexyl)(phenyl)methanone
Description:
Labels:eval
CAS:947-19-3
InChi Code:InChI=1S/C13H16O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,15H,2,5-6,9-10H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.183565145

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