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

DOI10.1007/S10910-017-0826-9zbMath1462.62667OpenAlexW2765949994MaRDI QIDQ1742800

Qingsong Xu, Yi-Ping Luo, Yi-Zeng Liang, Xin Huang

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 methodsvariable importancekernel partial least squaresregression coefficientsstructure-activity relationship

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)

Uses Software

• ChemoPy

Cites Work

• Unnamed Item
• 10.1162/15324430260185556
• Computer Aided Design of Experiments

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