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ErtlFunctionalGroupsFinder: automated rule-based functional group detection with the Chemistry Development Kit (CDK)., , , , and . J. Cheminformatics, 11 (1): 37:1-37:8 (2019)Molecule Set Comparator (MSC): a CDK-based open rich-client tool for molecule set similarity evaluations., , , and . J. Cheminformatics, 13 (1): 5 (2021)DECIMER: towards deep learning for chemical image recognition., , and . J. Cheminformatics, 12 (1): 65 (2020)Adsorption of amino acids on MFI-type zeolite: DFT calculations and experimental results., , and . J. Cheminformatics, 4 (S-1): 38 (2012)DECIMER-Segmentation: Automated extraction of chemical structure depictions from scientific literature., , , , and . J. Cheminformatics, 13 (1): 20 (2021)DECIMER - hand-drawn molecule images dataset., , , and . J. Cheminformatics, 14 (1): 36 (2022)Iterative Rank based Methods for Clustering., , and . CSB, page 478-479. IEEE Computer Society, (2003)Molecular fragments chemoinformatics., , , , and . J. Cheminformatics, 2 (S-1): 14 (2010)SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation., , , , , and . J. Cheminformatics, 10 (1): 35:1-35:10 (2018)Quantitative Estimation of Cyclotide-Induced Bilayer Membrane Disruption by Lipid Extraction with Mesoscopic Simulation., , , , and . J. Chem. Inf. Model., 61 (6): 3027-3040 (2021)