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: | 142-30-3 | |
|---|---|---|
| Name: | 2,5-Dimethyl-3-hexyne-2,5-diol | |
| Description: | ||
| Labels: | eval | |
| CAS: | 142-30-3 | |
| InChi Code: | InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.003618261 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |