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: | 76738-62-0 | |
|---|---|---|
| Name: | Paclobutrazol | |
| Description: | ||
| Labels: | training | |
| CAS: | 76738-62-0 | |
| InChi Code: | InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.484967842 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |