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: | 630-56-8 | |
|---|---|---|
| Name: | Hydroxyprogesterone caproate | |
| Description: | ||
| Labels: | training | |
| CAS: | 630-56-8 | |
| InChi Code: | InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.874451198 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |