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Cinfony - combining Open Source cheminformatics toolkits behind a common interface, and . Chemistry Central Journal, (2008)Confab - Systematic generation of diverse low-energy conformers, , , , and . Journal of Cheminformatics, 3 (1): 8+ (2011)MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms, , , , , , , and . Nucleic Acids Research, 35 (suppl 1): D515-D520 (2007)MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design., , , and . J. Cheminformatics, 16 (1): 64 (December 2024)Open Babel: An open chemical toolbox, , , , , and . Journal of cheminformatics, 3 (1): 1--14 (2011)Book Review of Gnuplot in Action.. Journal of Chemical Information and Modeling, 48 (10): 2095 (2008)Random Forest Models To Predict Aqueous Solubility, , , and . Journal of Chemical Information and Modeling, 47 (1): 150--158 (Jan 1, 2007)Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation., , , and . J. Cheminformatics, 14 (1): 68 (2022)Testing Assumptions and Hypotheses for Rescoring Success in Protein-Ligand Docking., , and . Journal of Chemical Information and Modeling, 49 (8): 1871-1878 (2009)Towards a Universal SMILES representation - A standard method to generate canonical SMILES based on the InChI.. J. Cheminformatics, (2012)