Temporal Evaluation of Uncertainty Quantification Under Distribution Shift
Paper in proceeding, 2025
drug discovery
deep learning
molecular property prediction
uncertainty quantification
temporal evaluation
distribution shift
Author
Emma Svensson
Johannes Kepler University of Linz (JKU)
AstraZeneca AB
Hannah Rosa Friesacher
KU Leuven
AstraZeneca AB
Ádám Arany
KU Leuven
Lewis H. Mervin
AstraZeneca AB
Ola Engkvist
AstraZeneca AB
Chalmers, Computer Science and Engineering (Chalmers), Data Science and AI
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
03029743 (ISSN) 16113349 (eISSN)
Vol. 14894 LNCS 132-1489783031723803 (ISBN)
Lugano, Switzerland,
Subject Categories
Computer and Information Science
Biological Sciences
DOI
10.1007/978-3-031-72381-0_11