SMILES-based optimal descriptors: QSAR a
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Andrey A. Toropov; Alla P. Toropova; Emilio Benfenati; Danuta Leszczynska; Jerzy
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Article
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2009
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John Wiley and Sons
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English
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## Abstract Quantitative structureโactivity relationships (QSAR) for prediction of binding affinities (pEC50, i.e., minus decimal logarithm of the 50% effective concentration) of 20 fullerene derivatives inhibitors of the HIVโ1 PR (human immunodeficiency virus type 1 protease) have been developed b