Tag: 2D-QSAR

QSAR Analysis and ADMET Study on 3, 5-Disubstituted Oxadiazole Derivatives as Anticancer Agents

Two-spatial Quantitative Structure Activity Relationship (QSAR) study was performed on a order of 3-(aryl)-5-aryl amino-1,2,4-Oxadiazoles in order to base the quantitative relationship betwixt physicochemical properties and antiproliferative exercise using Molecular Design Suite (VLifeMDS). The basic document file for this investigation amounted to 20 chemicals, that were divided into training...
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QSAR Investigation on 3,5-diaryl-4,5-dihydro-1H-pyrazole-1-carbothioamides as EGFR Kinase Inhibitors

In order to establish a quantitative relationship between epidermal growth factor receptor (EGFR) kinase inhibitory activity and physicochemical / structural properties, a quantitative structure activity relationship (QSAR) study was performed on a series of 3,5-diaryl-4,5-dihydro-1H-pyrazole-1-carbothioamides. Using multiple linear regression (MLR) analysis, many statistical regression equations were developed. Model 2...
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