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:77-09-8
Name:Phenolphthalein
Description:
Labels:training
CAS:77-09-8
InChi Code:InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
1

experimental value

0.459917922

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