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Generative molecular design in low data regimes., , , , and . Nat. Mach. Intell., 2 (3): 171-180 (2020)Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2, 3, 4, 5-TetrahydrobenzoF1, 4oxazepines as Potential New Trypanocidal Agents., , , , , , , , , and 3 other author(s). J. Chem. Inf. Model., 61 (10): 5256-5268 (2021)Structural properties of the so-called NSAID-phospholipid-complexes, , , , , , , , , and 4 other author(s). European Journal of Pharmaceutical Sciences, (June 2011)Machine learning models for hydrogen bond donor and acceptor strengths using large and diverse training data generated by first-principles interaction free energies., , and . J. Cheminformatics, 11 (1): 59:1-59:16 (2019)Automated de novo molecular design by hybrid machine intelligence and rule-driven chemical synthesis., , , and . Nat. Mach. Intell., 1 (7): 307-315 (2019)Designing molecules with autoencoder networks., and . Nat. Comput. Sci., 3 (11): 922-933 (2023)Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist., , , , , , , , , and . J. Cheminformatics, 2 (S-1): 27 (2010)Species-specific Inhibition of APOBEC3C by the Prototype Foamy Virus Protein Bet, , , , , , , , , and 7 other author(s). J. Biol. Chem., 284 (9): 5819--5826 (February 2009)Bidirectional Molecule Generation with Recurrent Neural Networks., , , and . J. Chem. Inf. Model., 60 (3): 1175-1183 (2020)Recurrent Neural Network Model for Constructive Peptide Design., , and . J. Chem. Inf. Model., 58 (2): 472-479 (2018)