Repurposing quantum chemical descriptor datasets for on-the-fly generation of informative reaction representations: application to hydrogen atom transfer reactionsJan 1, 2024·Javier E. Alfonso-Ramos,Rebecca M. Neeser,Thijs Stuyver· 0 min read Cite DOI URLTypeJournal articlePublicationDigit. Discov.Last updated on Jan 1, 2024 ← Improving the reliability of, and confidence in, DFT functional benchmarking through active learning Jan 1, 2024Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery Jan 1, 2023 →