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• W2051627306 abstract "In this paper, a new topological descriptor T-scale is derived from principal component analysis (PCA) on the collected 67 kinds of structural and topological variables of 135 amino acids. Applying T-scale to three peptide panels as 58 angiotensin-converting enzyme (ACE) inhibitors, 20 thromboplastin inhibitors (TI) and 28 bovine lactoferricin-(17–31)-pentadecapeptides (LFB), the resulting QSAR models, constructed by partial least squares (PLS), are all superior to reference reports, with correlative coefficient r2 and cross-validated q2 of 0.845, 0.786; 0.996, 0.782 (0.988, 0.961); 0.760, 0.627, respectively." @default.
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• W2051627306 date "2007-03-01" @default.
• W2051627306 modified "2023-10-11" @default.
• W2051627306 title "T-scale as a novel vector of topological descriptors for amino acids and its application in QSARs of peptides" @default.
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• W2051627306 doi "https://doi.org/10.1016/j.molstruc.2006.07.004" @default.
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