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: | 822-06-0 | |
|---|---|---|
| Name: | 1,6-Diisocyanatohexane | |
| Description: | ||
| Labels: | training | |
| CAS: | 822-06-0 | |
| InChi Code: | InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004853821 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |