The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods

Abstract

ADVERTISEMENT RETURN TO ISSUEEditorialNEXTThe (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning MethodsThereza A. Soares*Thereza A. SoaresDepartment of Chemistry, University of São Paulo, Ribeirão Preto 055508−090, BrazilHylleraas Centre for Quantum Molecular Sciences, University of Oslo, Oslo 0315, NorwayMore by Thereza A. Soareshttps://orcid.org/0000-0002-5891-6906, Ariane Nunes-AlvesAriane Nunes-AlvesInstitute of Chemistry, Technische Universität Berlin, Berlin 10623, GermanyMore by Ariane Nunes-Alves, Angelica MazzolariAngelica MazzolariDepartment of Pharmaceutical Sciences, University of Milan, Via Mangiagalli 25, Milan I-20133, ItalyMore by Angelica Mazzolarihttps://orcid.org/0000-0003-1352-1094, Fiorella RuggiuFiorella RuggiuInsitro Inc., 279 East Grand Avenue, South San Francisco 94080, California, United StatesMore by Fiorella Ruggiuhttps://orcid.org/0000-0001-7260-3255, Guo-Wei WeiGuo-Wei WeiDepartment of Mathematics, Michigan State University, East Lansing 48824, Michigan, United StatesMore by Guo-Wei Weihttps://orcid.org/0000-0002-5781-2937, and Kenneth MerzKenneth MerzDepartment of Chemistry, Michigan State University, East Lansing 48824, Michigan, United StatesMore by Kenneth Merzhttps://orcid.org/0000-0001-9139-5893Cite this: J. Chem. Inf. Model. 2022, 62, 22, 5317–5320Publication Date (Web):November 28, 2022Publication History Received9 November 2022Published online28 November 2022Published inissue 28 November 2022https://pubs.acs.org/doi/10.1021/acs.jcim.2c01422https://doi.org/10.1021/acs.jcim.2c01422editorialACS PublicationsCopyright © Published 2022 by American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views6307Altmetric-Citations5LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (1 MB) Get e-AlertscloseSUBJECTS:Algorithms,Bioinformatics and computational biology,Drug discovery,Molecules,Structure activity relationship Get e-Alerts

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