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: | 2094-99-7 | |
|---|---|---|
| Name: | 1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene | |
| Description: | ||
| Labels: | eval | |
| CAS: | 2094-99-7 | |
| InChi Code: | InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.133334713 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |