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:1445-75-6
Name:Diisopropyl methylphosphonate
Description:
Labels:training
CAS:1445-75-6
InChi Code:InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value
0.002072794

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