Incorporating PLS model information into particle swarm optimization for descriptor selection in QSAR/QSPR-Reference-Cited by-同舟云学术

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Incorporating PLS model information into particle swarm optimization for descriptor selection in QSAR/QSPR

Published:2015-09-23 Issue:12 Volume:29 Page:627-636
ISSN:0886-9383
Container-title:Journal of Chemometrics
language:en
Short-container-title:J. Chemometrics

Author:

Wang Yong¹²,Huang Jing-Jing¹,Zhou Neng³,Cao Dong-Sheng⁴,Dong Jie⁴,Li Han-Xiong²

Affiliation:

1. School of Information Science and Engineering; Central South University; Changsha 410083 China

2. Department of Systems Engineering and Engineering Management; City University of Hong Kong; Hong Kong

3. School of chemistry and materials; Yulin Normal University; Yulin Guangxi 537000 China

4. School of Pharmaceutical Sciences; Central South University; Changsha 410013 China

Publisher

Wiley

Subject

Applied Mathematics,Analytical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/cem.2746/fullpdf

Reference51 articles.

1. A practical overview of quantitative structure-activity relationship;Nantasenamat;EXCLI J.,2009

2. The multivariate calibration problem in chemistry solved by the PLS method

3. Partial least-regression: a tutorial;Geladi;Anal. Chim. Acta,1986

4. Automatic feature subset selection for decision tree-based ensemble methods in the prediction of bioactivity;Cao;Chemometr Intell Lab,2010

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