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:625-55-8
Name:Isopropyl formate
Description:
Labels:training
CAS:625-55-8
InChi Code:InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.003301626

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