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: | 63-05-8 | |
|---|---|---|
| Name: | 4-Androstene-3,17-dione | |
| Description: | ||
| Labels: | training | |
| CAS: | 63-05-8 | |
| InChi Code: | InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.973408254 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |