Generating hypotheses about molecular structure–activity relationships (SARs) by solving an optimization problem

DOI10.1002/SAM.10040MaRDI QIDQ4969683zbMATH OpenOpenAlexWikidataFDO

Authors Junshui Ma, Christopher Tong, Andy Liaw, Robert Sheridan, John Szumiloski, Vladimir Svetnik

Publication date 14 October 2020

Published in Statistical Analysis and Data Mining: The ASA Data Science Journal (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1002/sam.10040

zbMATH Keywords

frequent sethypothesis generationoptimizationQSAR rulesstructure-activity relationship (SAR)

Mathematics Subject Classification ID

Statistics (62-XX) Computer science (68-XX)

Cites work

• 10.1162/153244303322753670
• Complete mining of frequent patterns from graphs: Mining graph data
• Random forests

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