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:57-50-1
Name:Sucrose
Description:
Labels:training
CAS:57-50-1
InChi Code:InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

Properties

bindingClass: Androgen Receptor Binding Class

ValueSource or prediction
0

experimental value

0.04546062

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