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: | 744-45-6 | |
|---|---|---|
| Name: | Diphenyl isophthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 744-45-6 | |
| InChi Code: | InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.06612583 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |