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: | 90-94-8 | |
|---|---|---|
| Name: | Michler's ketone | |
| Description: | ||
| Labels: | training | |
| CAS: | 90-94-8 | |
| InChi Code: | InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.109977946 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |