10967/235 - QDB Compounds

QsarDB Repository

Garcia-Sosa, A. T.; Maran, U. Combined Naïve Bayesian, chemical fingerprints, and molecular docking classifiers to model and predict androgen receptor binding activity data for environmentally- and health-sensitive substances. Int. J. Mol. Sci. 2021, 22, 6695.

Compound

ID:921-20-0
Name:3-(Hydroxymethyl)pentane-2,4-diol
Description:
Labels:eval
CAS:921-20-0
InChi Code:InChI=1S/C6H14O3/c1-4(8)6(3-7)5(2)9/h4-9H,3H2,1-2H3

Properties

BindingClass: Activity in Androgen Receptor

ValueSource or prediction
0

experimental value

0

Procedure_13: Multivariate Logistic Regression Model (Evaluation set)