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Structural properties of the so-called NSAID-phospholipid-complexes, , , , , , , , , and 4 other author(s). European Journal of Pharmaceutical Sciences, (June 2011)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)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)Perplexity-Based Molecule Ranking and Bias Estimation of Chemical Language Models., , , and . J. Chem. Inf. Model., 62 (5): 1199-1206 (2022)Predicting drug metabolism: experiment and/or computation?, , , , , , , and . Nature Reviews Drug Discovery, 14 (6): 387--404 (Apr 24, 2015)Geometric Deep Learning on Molecular Representations., , and . CoRR, (2021)Neural multi-task learning in drug design., , and . Nat. Mac. Intell., 6 (2): 124-137 (2024)