Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (05): 449-453.doi: 10.3866/PKU.WHXB19990512

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Calculation of Peptide's Partition Coefficients by Amino Acid Addition Model

Tao Peng, Wang Ren-Xiao, Lai  Lu-Hua   

  1. Institute of Physical Chemistry,Peking University,Beijing 100871
  • Received:1998-07-01 Revised:1998-08-25 Published:1999-05-15
  • Contact: Lai Lu-Hua

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.

Key words: Partition coefficient, Hydrophobicity, Amino acid addition model, Peptides, Evolution test