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: | 129299-90-7 | |
|---|---|---|
| Name: | Fabesetron hydrochloride | |
| Description: | ||
| Labels: | training | |
| CAS: | 129299-90-7 | |
| InChi Code: | InChI=1S/C18H19N3O/c1-11-14-5-3-4-6-17(14)21-16(11)8-7-13(18(21)22)9-15-12(2)19-10-20-15/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)/t13-/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.425572819 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |