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:589-68-4
Name:Tetradecanoic acid, 2,3-dihydroxypropyl ester
Description:
Labels:training
CAS:589-68-4
InChi Code:InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.007574134

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