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)
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.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据