Machine Learning in Drug Discovery
Abstract
ADVERTISEMENT RETURN TO ISSUEEditorialNEXTMachine Learning in Drug DiscoverySepp Hochreiter*Sepp HochreiterLIT AI Lab & Institute of Bioinformatics, Johannes Kepler University, 4040 Linz, Austria*E-mail: [email protected]More by Sepp Hochreiter, Guenter KlambauerGuenter KlambauerLIT AI Lab & Institute of Bioinformatics, Johannes Kepler University, 4040 Linz, AustriaMore by Guenter Klambauerhttp://orcid.org/0000-0003-2861-5552, and Matthias Rarey*Matthias RareyZBH−Center for Bioinformatics, Universität Hamburg, 20146 Hamburg, Germany*E-mail: [email protected]More by Matthias Rareyhttp://orcid.org/0000-0002-9553-6531Cite this: J. Chem. Inf. Model. 2018, 58, 9, 1723–1724Publication Date (Web):August 15, 2018Publication History Published online15 August 2018Published inissue 24 September 2018https://pubs.acs.org/doi/10.1021/acs.jcim.8b00478https://doi.org/10.1021/acs.jcim.8b00478editorialACS PublicationsCopyright © 2018 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 Views7629Altmetric-Citations22LEARN 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 (271 KB) Get e-AlertscloseSUBJECTS:Drug discovery,Machine learning,Neural networks,Pharmaceuticals,Power Get e-Alerts
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Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews · doi:10.1039/d0cs00098a · Cited by 913 · see citing works
Brown, A. J., Snapkov, I., Akbar, R., Pavlović, M., Miho, E., Sandve, G. K., & Greiff, V. (2019) · Molecular Systems Design & Engineering · doi:10.1039/c9me00071b · Cited by 59 · see citing works
- Authors
- Hochreiter, S., Klambauer, G., & Rarey, M.
- Affiliations
- Johannes Kepler University of Linz (AT)
- LIT AI Lab & Institute of Bioinformatics, Johannes Kepler University, 4040 Linz, Austria
- Universität Hamburg (DE)
- Corresponding author
- Hochreiter, Sepp
- Rarey, Matthias
- Venue
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-08-15
- Volume
- 58
- Issue
- 9
- Pages
- 1723-1724
- ISSN
- 1549-9596 (ISSN-L)
- 1549-960X
- OpenAlex
- W4234276140
- Cited by
- 36
- References
- 6
- Citations by year
- 2026: 1 · 2025: 5 · 2024: 2 · 2023: 5 · 2022: 10 · 2021: 3 · 2020: 6 · 2019: 3 · 2018: 1
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Chemical Information and Modeling (publishedVersion)
- PubMed (publishedVersion)
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Physical Sciences › Materials Science › Materials Chemistry › Machine Learning in Materials Science
- Physical Sciences › Computer Science › Artificial Intelligence › Machine Learning in Healthcare
- Keywords
- machine learning, drug discovery, computer-aided drug design
- MeSH terms
- Machine Learning, Computer Simulation, Humans, Structure-Activity Relationship, Molecular Structure, Neural Networks, Computer, Drug Discovery
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