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: | 127-51-5 | |
|---|---|---|
| Name: | alpha-Isomethylionone | |
| Description: | ||
| Labels: | training | |
| CAS: | 127-51-5 | |
| InChi Code: | InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.15504972 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |