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A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat., , , , , and . J. Comput. Aided Mol. Des., 38 (1): 7 (December 2024)Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state., , , and . J. Comput. Aided Mol. Des., 37 (12): 765-789 (December 2023)Prediction of Oral Bioavailability in Rats: Transferring Insights from in Vitro Correlations to (Deep) Machine Learning Models Using in Silico Model Outputs and Chemical Structure Parameters., , , , , , , and . J. Chem. Inf. Model., 59 (11): 4893-4905 (2019)Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction., , , , , , and . J. Chem. Inf. Model., 55 (2): 389-397 (2015)In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors., , , and . J. Chem. Inf. Model., 46 (2): 648-658 (2006)pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants., , , and . J. Comput. Aided Mol. Des., 37 (3): 129-145 (March 2023)Combined experimental and quantum mechanical elucidation of the synthetically accessible stereoisomers of Hydroxyestradienone (HED), the starting material for vilaprisan synthesis., , , and . J. Comput. Aided Mol. Des., 35 (4): 505-516 (2021)Ensemble completeness in conformer sampling: the case of small macrocycles., , , , and . J. Cheminformatics, 13 (1): 55 (2021)Predicting drug metabolism: experiment and/or computation?, , , , , , , and . Nature Reviews Drug Discovery, 14 (6): 387--404 (Apr 24, 2015)Similarity-Based Classifier Using Topomers to Provide a Knowledge Base for hERG Channel Inhibition., and . Journal of Chemical Information and Modeling, 49 (2): 247-256 (2009)