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:96-17-3
Name:2-Methylbutanal
Description:
Labels:eval
CAS:96-17-3
InChi Code:InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.002025631

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