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: | 3296-90-0 | |
|---|---|---|
| Name: | 2,2-Bis(bromomethyl)-1,3-propanediol | |
| Description: | ||
| Labels: | training | |
| CAS: | 3296-90-0 | |
| InChi Code: | InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
Properties
bindingClass: Androgen Receptor Binding Class
| Value | Source or prediction |
|---|---|
| 0 |
experimental value |
| 0.0036748 |
Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class) |