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: | 1459-93-4 | |
|---|---|---|
| Name: | Dimethyl isophthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 1459-93-4 | |
| InChi Code: | InChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.028109698 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |