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: | 75820-08-5 | |
|---|---|---|
| Name: | Tolrestat | |
| Description: | ||
| Labels: | eval | |
| CAS: | 75820-08-5 | |
| InChi Code: | InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.382655684 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |