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Updated: Jul 13, 2026

A Rapid and Quantitative Fluorimetric Method for Protein-Targeting Small Molecule Drug Screening
Published on: October 16, 2015
ANN-QSAR model of drug-binding to human serum albumin
Omar Deeb1, Bahram Hemmateenejad
1Faculty of Pharmacy, Al-Quds University, PO Box 20002, Jerusalem, Palestine. deeb2000il@yahoo.com
Abstract:
Quantitative structure-activity relationship study was performed to understand drug binding to human serum albumin. This study was performed on 94 different human serum albumin drug and drug-like compounds by using the principal component-artificial neural network modeling method, with application of eigenvalue ranking factor selection procedure. The results obtained by principal component-artificial neural network gives better regression models with good prediction ability using a relatively low number of principal components in comparison to other quantitative structure-activity relationship studies on the same data set of compounds. A 0.8497 coefficient of determination was obtained using principal component-artificial neural network with six extracted principal components.
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