4.5 Article

SVM approach for predicting LogP

期刊

MOLECULAR DIVERSITY
卷 10, 期 3, 页码 301-309

出版社

SPRINGER
DOI: 10.1007/s11030-006-9036-2

关键词

LogP prediction; multiple linear regression (MLR); partial least squares (PLS); support vector machines (SVM)

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The logarithm of the partition coefficient between n-octanol and water (logP) is an important parameter for drug discovery. Based upon the comparison of several prediction logP models, i.e. Support Vector Machines (SVM), Partial Least Squares (PLS) and Multiple Linear Regression (MLR), the authors reported SVM model is the best one in this paper.

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