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: | 38661-72-2 | |
|---|---|---|
| Name: | 1,3-Bis(isocyanatomethyl)cyclohexane | |
| Description: | ||
| Labels: | eval | |
| CAS: | 38661-72-2 | |
| InChi Code: | InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.003889984 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |