Open-Source Machine Learning in Computational Chemistry
| 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 |
