Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse
Paper in proceeding, 2025
modularity
machine learning
design pattern
code reuse
drug discovery
registration
Author
Peter B.R. Hartog
AstraZeneca AB
Helmholtz Munich-Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH)
Emma Svensson
Johannes Kepler University of Linz (JKU)
AstraZeneca AB
Lewis H. Mervin
AstraZeneca AB
Samuel Genheden
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Igor V. Tetko
Helmholtz Munich-Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH)
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
03029743 (ISSN) 16113349 (eISSN)
Vol. 14894 LNCS 98-1159783031723803 (ISBN)
Lugano, Switzerland,
Subject Categories
Computer Science
DOI
10.1007/978-3-031-72381-0_9