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:87818-31-3
Name:Cinmethylin
Description:
Labels:training
CAS:87818-31-3
InChi Code:InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3/t16-,17+,18-/m1/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.324517918

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