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: | NOCAS_48514 | |
|---|---|---|
| Name: | PharmaGSID_48514 | |
| Description: | ||
| Labels: | training | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H16ClNO4S/c1-12-3-8-15(16(18)11-12)17(20)19-24(21,22)10-9-13-4-6-14(23-2)7-5-13/h3-11H,1-2H3,(H,19,20)/b10-9+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.178342618 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |