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: | 113-98-4 | |
|---|---|---|
| Name: | Penicillin G potassium | |
| Description: | ||
| Labels: | eval | |
| CAS: | 113-98-4 | |
| InChi Code: | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.178064181 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |