10967/234 - QDB Compounds

QsarDB Repository

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:1205-17-0
Name:alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde
Description:
Labels:eval
CAS:1205-17-0
InChi Code:InChI=1S/C11H12O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5-6,8H,4,7H2,1H3

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.180386764

Proc.13: Procedure 13, Multivariate Logistic Regression (predicted Binding Class)