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: | 605-45-8 | |
|---|---|---|
| Name: | Diisopropyl phthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 605-45-8 | |
| InChi Code: | InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.041442135 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |