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: | 57-06-7 | |
|---|---|---|
| Name: | Allyl isothiocyanate | |
| Description: | ||
| Labels: | training | |
| CAS: | 57-06-7 | |
| InChi Code: | InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.004503003 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |