Incorporating variable importance into kernel PLS for modeling the structure-activity relationship

DOI10.1007/S10910-017-0826-9MaRDI QIDQ1742800zbMATH OpenOpenAlexFDO

Authors Xin Huang, Yiping Luo, Qingsong Xu, Yi-Zeng Liang

Publication date 12 April 2018

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10910-017-0826-9

zbMATH Keywords

kernel methodskernel partial least squaresregression coefficientsstructure-activity relationshipvariable importance

Mathematics Subject Classification ID

Estimation in multivariate analysis (62H12) Linear regression; mixed models (62J05) Applications of statistics to biology and medical sciences; meta analysis (62P10)

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Cites work

• 10.1162/15324430260185556
• Computer Aided Design of Experiments
• scientific article; zbMATH DE number 3787984 (Why is no real title available?)

Cited in

(1)

• A kernel distance-based representative subset selection method

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Uses Software

• ChemoPy

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