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SMILES-based optimal descriptors: QSAR modeling of estrogen receptor binding affinity by correlation balance

โœ Scribed by Andrey A. Toropov; Alla P. Toropova; Rodolfo Gonella Diaza; Emilio Benfenati; Giuseppina Gini


Publisher
Springer
Year
2011
Tongue
English
Weight
376 KB
Volume
23
Category
Article
ISSN
1040-0400

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## Abstract Quantitative structureโ€activity 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 HIVโ€1 PR (human immunodeficiency virus type 1 protease) have been developed b