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: | 6192-62-7 | |
|---|---|---|
| Name: | Tomatidine hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 6192-62-7 | |
| InChi Code: | InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.072666898 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |