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: | 315-22-0 | |
|---|---|---|
| Name: | Monocrotaline | |
| Description: | ||
| Labels: | eval | |
| CAS: | 315-22-0 | |
| InChi Code: | InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.186781515 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |