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Journal of Cheminformatics|January 12, 2021
SYBA: Bayesian estimation of synthetic accessibility of organic compoundsMilan Voršilák, Michal Kolář, Ivan Čmelo, et al.Drug Testing and Analysis|July 18, 2020
New psychoactive substances on dark web markets: From deal solicitation to forensic analysis of purchased substancesBronislav Jurásek, Ivan Čmelo, Jan Svoboda, et al.Journal of Chemical Information and Modeling|August 25, 2025
Sequence-Dependent Shape and Stiffness of DNA and RNA Double Helices: Hexanucleotide Scale and BeyondPavlína Slavníková, Marek Cuker, Eva Matoušková, et al.Molecular Informatics|July 9, 2024
Chemical space exploration with Molpher: Generating and assessing a glucocorticoid receptor ligand libraryM Isabel Agea, Ivan Čmelo, Wim Dehaen, et al.Journal of Cheminformatics|May 8, 2026
Scaffold-based evaluation metrics for fair comparison of molecular generatorsValeriia Fil, Remco L Van Den Broek, Martin Šícho, et al.Pharmaceuticals (Basel, Switzerland)|August 29, 2024
Synthesis and Biochemical Evaluation of Ethanoanthracenes and Related Compounds: Antiproliferative and Pro-Apoptotic Effects in Chronic Lymphocytic Leukemia (CLL)James P McKeown, Andrew J Byrne, Sandra A Bright, et al.Pageof 1