An improved QSPR method based on support vector machine applying rational sample data selection and genetic algorithm-controlled training parameters optimization-Reference-Cited by-同舟云学术

An improved QSPR method based on support vector machine applying rational sample data selection and genetic algorithm-controlled training parameters optimization

Published:2014-05 Issue: Volume:134 Page:34-46
ISSN:0169-7439
Container-title:Chemometrics and Intelligent Laboratory Systems
language:en
Short-container-title:Chemometrics and Intelligent Laboratory Systems

Author:

Zhang Yaxiong

Publisher

Elsevier BV

Subject

Spectroscopy,Process Chemistry and Technology,Computer Science Applications,Software,Analytical Chemistry

Reference57 articles.

1. Physical Organic Chemistry;Hammett,1940

2. p-Analysis, a method for the correlation of biological activity and chemical structure;Hansch;J. Am. Chem. Soc.,1964

3. Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients;Hansch;Nature,1962

4. A mathematical contribution to structure–activity studies;Free;J. Med. Chem.,1964

5. Chemometric Methods;Xu,1995

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Prediction of pKa Values for Neutral and Basic Drugs based on Hybrid Artificial Intelligence Methods;Scientific Reports;2018-03-05

2. Multi-class classification for steel surface defects based on machine learning with quantile hyper-spheres;Chemometrics and Intelligent Laboratory Systems;2017-09

3. State-transition-algorithm-based resolution for overlapping linear sweep voltammetric peaks with high signal ratio;Chemometrics and Intelligent Laboratory Systems;2016-02

4. Chemometrics tools in QSAR/QSPR studies: A historical perspective;Chemometrics and Intelligent Laboratory Systems;2015-12

5. Computer simulation and optimization for reversed-phase HPLC separation: A novel algorithm simulating and optimizing the non-linear and non-ideal separation process in analytical chromatography;Chemometrics and Intelligent Laboratory Systems;2015-12