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Open-Source Machine Learning in Computational Chemistry

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Metadaten
Document Type:Article
Language:English
Author:Alexander Hagg, Karl N. Kirschner
Parent Title (English):Journal of Chemical Information and Modeling
Volume:63
Issue:15
First Page:4505
Last Page:4532
ISSN:1549-9596
DOI:https://doi.org/10.1021/acs.jcim.3c00643
PMID:https://pubmed.ncbi.nlm.nih.gov/37466636
Publisher:American Chemical Society (ACS)
Date of first publication:2023/07/19
Copyright:© 2023 The Authors. Published by American Chemical Society
Keyword:Computational chemistry; Computational modeling; Machine learning; Optimization; Software
Departments, institutes and facilities:Fachbereich Informatik
Fachbereich Ingenieurwissenschaften und Kommunikation
Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Fields of research:Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) / Arbeitsgruppe Computational Chemistry
Entry in this database:2023/07/25