RESEARCH PAPER · Journal of the American Chemical Society · 2026
Yield Prediction of Organic Reactions in Biased Data Sets via Positive-Unlabeled Learning
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Development of Deep-Learning Models that Predict Quantitative Protein-Ligand Interactions in Glycobiology as a part of a Capstone Course
bioRxiv (Cold Spring Harbor Laboratory) · 2026-06-24
Haoyan Yin, Weibo Liu, W Zhou, Zechen Chang, Eric J Carpenter, Aashish Satyajith, Simatsidk Haregu, Russell Greiner, Ratmir Derda
Read original paper ↗ ·Machine Learning for Synthetic Organic Chemistry: Methods, Applications, and Best Practices
Angewandte Chemie Novit · 2026-08-28
Niklas Hölter, Felix Katzenburg, Florian Boser, Frank Glorius
Read original paper ↗ ·Integrating Mechanistic Knowledge into Machine Learning Enables Improved Reaction Prediction in Low‐Data Regimes
Chemistry - A European Journal · 2026-09-23
Thibaud Mabit, François‐Xavier Felpin
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