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• W2023262148 abstract "In this work, a descriptor, SVRG (principal component scores vector of radial distribution function descriptors and geometrical descriptors), was derived from principal component analysis (PCA) of a matrix of two structural variables of coded amino acids, including radial distribution function index (RDF) and geometrical index. SVRG scales were then applied in three panels of peptide quantitative structure-activity relationships (QSARs) which were modelled by partial least squares regression (PLS). The obtained models with the correlation coefficient (R²(cum)), cross-validation correlation coefficient (Q²(LOO)) were 0.910 and 0.863 for 48 bitter-tasting dipeptides; 0.968 and 0.931 for 21 oxytocin analogues; and 0.992 and 0.954 for 20 thromboplastin inhibitors. Satisfactory results showed that SVRG contained much chemical information relating to bioactivities. The approach may be a useful structural expression methodology for studies on peptide QSAR." @default.
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• W2023262148 date "2011-07-01" @default.
• W2023262148 modified "2023-10-05" @default.
• W2023262148 title "A descriptor of amino acids: SVRG and its application to peptide quantitative structure–activity relationship" @default.
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• W2023262148 doi "https://doi.org/10.1080/1062936x.2011.604099" @default.
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