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: | 66104-23-2 | |
|---|---|---|
| Name: | Pergolide methanesulfonate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 66104-23-2 | |
| InChi Code: | InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.156979755 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |