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Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES.

, , , , and . J. Comput. Aided Mol. Des., 37 (8): 373-394 (August 2023)

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Correction to Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting., and . J. Chem. Inf. Model., 58 (8): 1716-1720 (2018)MDplot: Visualise Molecular Dynamics., and . R J., 9 (1): 164 (2017)A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications., , , , and . PLoS Comput. Biol., (2013)Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES., , , and . CoRR, (2022)Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications., , and . Nucleic Acids Res., 41 (Webserver-Issue): 422-426 (2013)Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES., , , , and . J. Comput. Aided Mol. Des., 37 (8): 373-394 (August 2023)Author Correction: Improving de novo molecular design with curriculum learning., , , , , , , and . Nat. Mach. Intell., 4 (8): 731 (2022)Nonadditivity in public and inhouse data: implications for drug design., , , and . J. Cheminformatics, 13 (1): 47 (2021)DockStream: a docking wrapper to enhance de novo molecular design., , , , , , , , , and . J. Cheminformatics, 13 (1): 89 (2021)Update on phosphate and charged post-translationally modified amino acid parameters in the GROMOS force field., , and . J. Comput. Chem., 38 (10): 714-720 (2017)