Polymorphism - a property of the single molecule or an emergent phenomenon: a machine learning study

Itamar Wallwater, Yonathan Dubi, Ari Pakman, Anat Milo

Published: 21 Apr 2025, Last Modified: 21 Apr 2025AI4X 2025 PosterEveryoneRevisionsBibTeXCC BY 4.0
Keywords: Machine learning, Classification, Unbalanced dataset, Positive Unlabeled Learning, Chemisty, Crystals, Polymorphs
TL;DR: A ML voyage navigating through bias and unbalanced data into the molecular crystal realm
Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.
PDF: pdf
Submission Number: 180

OpenReview is a long-term project to advance science through improved peer review with legal nonprofit status. We gratefully acknowledge the support of the OpenReview Sponsors. © 2025 OpenReview