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: | 3052-50-4 | |
|---|---|---|
| Name: | 2-Butenedioic acid (2Z)-, monomethyl ester | |
| Description: | ||
| Labels: | eval | |
| CAS: | 3052-50-4 | |
| InChi Code: | InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.005165094 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |