Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and DiscoveryJan 1, 2023·Nicholas Casetti,Javier E. Alfonso-Ramos,Connor W. Coley,Thijs Stuyver· 0 min read Cite DOI URLTypeJournal articlePublicationChem. Eur. J.Last updated on Jan 1, 2023 ← Repurposing quantum chemical descriptor datasets for on-the-fly generation of informative reaction representations: application to hydrogen atom transfer reactions Jan 1, 2024Origins of the Reactivity in 1,3‐Dipolar Cycloadditions of Acyl Isocyanide Ylides Jan 1, 2023 →