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Journal of Cheminformatics|December 8, 2025
SMARTS-RX: a SMARTS-based representation of chemical functions for reactivity analysisThierry Kogej, Christos Kannas, Samuel Genheden, et al.Journal of Cheminformatics|June 1, 2022
canSAR chemistry registration and standardization pipelineDaniela Dolciami, Eloy Villasclaras-Fernandez, Christos Kannas, et al.Journal of Chemical Information and Modeling|May 23, 2026
Toward Lab-Ready AI Synthesis Plans with Protection Strategies and Route ScoringAnnie M Westerlund, Lukas M Sigmund, Marco V Mijangos, et al.Molecular Informatics|July 18, 2025
Network Analysis of the Organic Chemistry in Patents, Literature, and Pharmaceutical IndustryEmma Svensson, Emma Granqvist, Tomas Bastys, et al.Chemical Science|September 10, 2025
From concept to chemistry: integrating protection group strategy and reaction feasibility into non-natural amino acid synthesis planningGökçe Geylan, Mikhail Kabeshov, Samuel Genheden, et al.Drug Discovery Today. Technologies|January 2, 2021
AI-assisted synthesis predictionSimon Johansson, Amol Thakkar, Thierry Kogej, et al.Nucleic Acids Research|November 30, 2018
canSAR: update to the cancer translational research and drug discovery knowledgebaseElizabeth A Coker, Costas Mitsopoulos, Joesph E Tym, et al.Nucleic Acids Research|November 21, 2020
canSAR: update to the cancer translational research and drug discovery knowledgebaseCostas Mitsopoulos, Patrizio Di Micco, Eloy Villasclaras Fernandez, et al.Pageof 1