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: | 745-65-3 | |
|---|---|---|
| Name: | Alprostadil | |
| Description: | ||
| Labels: | eval | |
| CAS: | 745-65-3 | |
| InChi Code: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.057093348 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |