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: | 120-46-7 | |
|---|---|---|
| Name: | 1,3-Diphenyl-1,3-propanedione | |
| Description: | ||
| Labels: | training | |
| CAS: | 120-46-7 | |
| InChi Code: | InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.050346021 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |