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: | 51481-61-9 | |
|---|---|---|
| Name: | Cimetidine | |
| Description: | ||
| Labels: | eval | |
| CAS: | 51481-61-9 | |
| InChi Code: | InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.014812155 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |