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: | 55418-52-5 | |
|---|---|---|
| Name: | Piperonyl acetone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 55418-52-5 | |
| InChi Code: | InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.14977709 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |