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: | 4098-71-9 | |
|---|---|---|
| Name: | Isophorone diisocyanate | |
| Description: | ||
| Labels: | training | |
| CAS: | 4098-71-9 | |
| InChi Code: | InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.02130976 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |