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: | 4802-20-4 | |
|---|---|---|
| Name: | Dipentenedimercaptan | |
| Description: | ||
| Labels: | eval | |
| CAS: | 4802-20-4 | |
| InChi Code: | InChI=1S/C10H20S2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h7-12H,3-6H2,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.012616747 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |