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: | 584-84-9 | |
|---|---|---|
| Name: | Toluene-2,4-diisocyanate | |
| Description: | ||
| Labels: | training | |
| CAS: | 584-84-9 | |
| InChi Code: | InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.02120619 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |