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: | 131-70-4 | |
|---|---|---|
| Name: | Monobutyl phthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 131-70-4 | |
| InChi Code: | InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14) |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.050915015 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |