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:2020-25-9
Name:Phenyl 11-iodo-10-undecynoate
Description:
Labels:eval
CAS:2020-25-9
InChi Code:InChI=1S/C17H21IO2/c18-15-11-6-4-2-1-3-5-10-14-17(19)20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10,14H2

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.070225651

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