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: | 13816-33-6 | |
|---|---|---|
| Name: | 4-Isopropylbenzonitrile | |
| Description: | ||
| Labels: | eval | |
| CAS: | 13816-33-6 | |
| InChi Code: | InChI=1S/C10H11N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.041000468 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |