Open-Source Machine Learning in Computational Chemistry
Document Type: | Article |
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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 |