BOOM: Benchmarking Out-Of-distribution Molecular Property Predictions of Machine Learning Models
arXiv:2505.01912v3 Announce Type: replace-cross Abstract: Data-driven molecular discovery leverages artificial intelligence/machine learning (AI/ML) and generative modeling to filter and design novel molecules. Discovering novel molecules requires…
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Published3 d ago (Thu, 17 Sep 2026 04:00:00 GMT)
RetrievedThu, 17 Sep 2026 15:30:40 GMT via rss
ClassifiedThu, 17 Sep 2026 15:30:51 GMT by heuristic
AuthorEvan R. Antoniuk, Shehtab Zaman, Tal Ben-Nun, Peggy Li, James Diffenderfer, Busra Sahin, Obadiah Smolenski, Everett…