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Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines
Authors:HX?Liu  XJ?Yao  RS?Zhang  MC?Liu  Email author" target="_blank">ZD?HuEmail author  BT?Fan
Institution:(1) Department of Chemistry, Lanzhou University, 730000 Lanzhou, China;(2) Department of Computer Science, Lanzhou University, 730000 Lanzhou, China;(3) Université Paris 7-Denis Diderot, ITODYS 1 rue Guy de la Brosse, 75005 Paris, France
Abstract:
Keywords:heuristic method  least-squares support vector machines (LS-SVM)  QSAR  tissue/blood partition coefficients
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