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: | 84-69-5 | |
|---|---|---|
| Name: | Diisobutyl phthalate | |
| Description: | ||
| Labels: | training | |
| CAS: | 84-69-5 | |
| InChi Code: | InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.038622721 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |