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: | 120068-37-3 | |
|---|---|---|
| Name: | Fipronil | |
| Description: | ||
| Labels: | training | |
| CAS: | 120068-37-3 | |
| InChi Code: | InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.123495533 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |