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: | 298-59-9 | |
|---|---|---|
| Name: | Methylphenidate hydrochloride | |
| Description: | ||
| Labels: | eval | |
| CAS: | 298-59-9 | |
| InChi Code: | InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.118172349 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |