引用本文:
陶鹏, 王任小, 来鲁华. 用氨基酸加和法计算多肽的脂水分配系数[J]. 物理化学学报,
1999, 15(05): 449-453.
doi:
10.3866/PKU.WHXB19990512
Citation: Tao Peng, Wang Ren-Xiao, Lai Lu-Hua. Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model[J]. Acta Physico-Chimica Sinica, 1999, 15(05): 449-453. doi: 10.3866/PKU.WHXB19990512
Citation: Tao Peng, Wang Ren-Xiao, Lai Lu-Hua. Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model[J]. Acta Physico-Chimica Sinica, 1999, 15(05): 449-453. doi: 10.3866/PKU.WHXB19990512
English
Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model
Abstract:
Based on amino acid addition model, a set of hydrophobicity contributions of amino acids was obtained from the multivariate linear regression analysis of peptides' octanol/water partition coefficients. Multivariate regression was performed on a training set of 219 peptides including dipeptides to pentapeptides which we compose 21 natural amino acids. The correlation coefficients for the whole set fitting are 0. 978 and 0- 974, for log P and log D respectively. In addition, a new test method -evolution test-for regression analysis was discussed. The result of evolution test for amino acid addition model shows the advantage of this new test method.
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Key words:
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Partition coefficient
- / Hydrophobicity
- / Amino acid addition model
- / Peptides
- / Evolution test
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