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Enhanced Calculation of Property Distributions in Chemical Fragment Spaces.

, , and . J. Chem. Inf. Model., 64 (6): 2008-2020 (2024)

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Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces., , and . Journal of Chemical Information and Modeling, 53 (7): 1676-1688 (2013)Fully Automated Flexible Docking of Ligands into Flexible Synthetic Receptors Using Forward and Inverse Docking Strategies., , , , and . Journal of Chemical Information and Modeling, 46 (2): 903-911 (2006)Benchmark Data Sets for Structure-Based Computational Target Prediction., and . Journal of Chemical Information and Modeling, 54 (8): 2261-2274 (2014)Disconnected Maximum Common Substructures under Constraints., , , and . J. Chem. Inf. Model., 61 (1): 167-178 (2021)10th ICCS/GCC Conference: 40 Years of Cheminformatics., , , and . J. Chem. Inf. Model., 55 (6): 1087 (2015)Synthesis-Aware Generation of Structural Analogues., , and . J. Chem. Inf. Model., 62 (15): 3565-3576 (2022)TorsionAnalyzer: exploring conformational space., , and . J. Cheminformatics, 5 (S-1): 3 (2013)Docking of hydrophobic ligands with interaction-based matching algorithms., , and . German Conference on Bioinformatics, Oxford University Press, (1998)Systematic search for pairwise dependencies of torsion angles., , and . J. Cheminformatics, 4 (S-1): 36 (2012)Flexible docking under pharmacophore type constraints., , , and . J. Comput. Aided Mol. Des., 16 (2): 129-149 (2002)