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: | 3547-33-9 | |
|---|---|---|
| Name: | 2-Hydroxyethyl octyl sulfide | |
| Description: | ||
| Labels: | training | |
| CAS: | 3547-33-9 | |
| InChi Code: | InChI=1S/C10H22OS/c1-2-3-4-5-6-7-9-12-10-8-11/h11H,2-10H2,1H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.002332758 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |