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 CiteTypeJournal articlePublicationChem. A 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 →