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: | 50-28-2 | |
|---|---|---|
| Name: | 17beta-Estradiol | |
| Description: | ||
| Labels: | training, eval | |
| CAS: | 50-28-2 | |
| InChi Code: | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.979429958 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |