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Updated: Jul 19, 2026

A New Straightforward Method for Lipophilicity (logP) Measurement using 19F NMR Spectroscopy
Published on: January 30, 2019
SVM approach for predicting LogP
Quan Liao1, Jianhua Yao, Shengang Yuan
1Department of Computer Chemistry and Chemoinformatics, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai, China.
Abstract:
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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