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: | 64359-81-5 | |
|---|---|---|
| Name: | 4,5-Dichloro-2-octyl-3(2H)-isothiazolone | |
| Description: | ||
| Labels: | training | |
| CAS: | 64359-81-5 | |
| InChi Code: | InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 1 |
experimental value |
| 0.164193269 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |