Correlation weighted successive projections algorithm as a novel method for variable selection in QSAR studies: investigation of anti‐HIV activity of HEPT derivatives
Tóm tắt
Correlation weighted successive projections algorithm (CWSPA), as a modified version of successive projections algorithm (SPA), is proposed for selection of descriptors in the non‐linear quantitative structure‐activity relationship (QSAR) study of a series of 1‐[2‐hydroxyethoxy‐methyl]‐6‐(phenylthio)thymine] (HEPT) derivatives, as non‐nucloside reverse transcriptase inhibitors (NNRTIs). In the proposed procedure the correlation coefficient of each descriptor with the activities (
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