Registries in Machine Learning-Based Drug Discovery: A Shortcut to Code Reuse
Paper in proceeding, 2025
design pattern
modularity
machine learning
drug discovery
code reuse
registration
Author
Peter B.R. Hartog
Helmholtz Association of German Research Centres
AstraZeneca AB
Emma Svensson
AstraZeneca AB
Johannes Kepler University of Linz (JKU)
Lewis H. Mervin
AstraZeneca AB
Samuel Genheden
AstraZeneca AB
Ola Engkvist
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
AstraZeneca AB
Igor V. Tetko
Helmholtz Association of German Research Centres
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 (SSIF 2011)
Computer Science
DOI
10.1007/978-3-031-72381-0_9