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: | 61295-41-8 | |
|---|---|---|
| Name: | 3-(2-Methyl-3-furylthio)-4-heptanone | |
| Description: | ||
| Labels: | eval | |
| CAS: | 61295-41-8 | |
| InChi Code: | InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.0229781 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |