Quantum chemical roots of machine-learning molecular similarity descriptorsJan 1, 2022ยทStefan Gugler,Markus Reiherยท 0 min read CiteTypeJournal articlePublicationJournal of Chemical Theory and ComputationLast updated on Jan 1, 2022 ← Ligand additivity relationships enable efficient exploration of transition metal chemical space Jan 1, 2022Reiher Jan 1, 2022 →