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: | 318292-43-2 | |
|---|---|---|
| Name: | bis(7-Methyloctyl) tetrahydrophthalate | |
| Description: | ||
| Labels: | eval | |
| CAS: | 318292-43-2 | |
| InChi Code: | InChI=1S/C26H48O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h21-24H,5-20H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.007735302 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |