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: | 15622-65-8 | |
|---|---|---|
| Name: | Molindone hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 15622-65-8 | |
| InChi Code: | InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.08181502 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |