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Digital Discovery|February 25, 2026
Scientific knowledge graph and ontology generation using open large language modelsAlexandru Oarga, Matthew Hart, Andres M Bran, et al.Journal of the American Chemical Society|June 11, 2026
From Microcurrents to Macrodynamics: Harnessing Mixed Potentials for Large, Tunable Acceleration of Belousov-Zhabotinsky OscillationsSandro Agostini, Philippe Schwaller, Juan Pérez-Mercader, et al.ACS Central Science|August 2, 2023
Unbiasing Retrosynthesis Language Models with Disconnection PromptsAmol Thakkar, Alain C Vaucher, Andrea Byekwaso, et al.Nature Communications|July 19, 2020
Automated extraction of chemical synthesis actions from experimental proceduresAlain C Vaucher, Federico Zipoli, Joppe Geluykens, et al.Nature Communications|May 7, 2021
Inferring experimental procedures from text-based representations of chemical reactionsAlain C Vaucher, Philippe Schwaller, Joppe Geluykens, et al.Journal of the American Chemical Society|March 19, 2026
Ligand-Modulated Release of Copper Active Sites Extends Ethylene Production in CO2 ElectroreductionJari Leemans, Edvin Fako, Ludovic Zaza, et al.Nature Machine Intelligence|May 27, 2024
Augmenting large language models with chemistry toolsAndres M Bran, Sam Cox, Oliver Schilter, et al.Environmental Science and Pollution Research International|January 14, 2021
A carbon tax or a subsidy? Policy choice when a green firm competes with a high carbon emitterJeff Guo, Rongbing HuangComputational and Structural Biotechnology Journal|May 13, 2024
Language models can identify enzymatic binding sites in protein sequencesYves Gaetan Nana Teukam, Loïc Kwate Dassi, Matteo Manica, et al.Science and Technology of Advanced Materials|October 3, 2018
Insights into photovoltaic properties of ternary organic solar cells from phase diagramsMohammed Makha, Philippe Schwaller, Karen Strassel, et al.Pageof 6