Introducing the Concept of Virtual Control Groups into Preclinical Toxicology Animal Testing von Steger-Hartmann, Thomas, Kreuchwig, Annika, Vaas, Lea, Wichard, Joerg, Bringezu, Frank, Amberg, Alexander, Muster, Wolfgang, Pognan, Francois, Barber, Chris

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Bayer’s in silico ADMET platform: a journey of machine learning over the past two decades von Göller, Andreas H., Kuhnke, Lara, Montanari, Floriane, Bonin, Anne, Schneckener, Sebastian, ter Laak, Antonius, Wichard, Jörg, Lobell, Mario, Hillisch, Alexander

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In silico prediction of genotoxicity von Wichard, Jörg D.

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Target-Aware Drug Activity Model: A Deep Learning Approach to Virtual HTS von Czaplak, Szymon, Frączek, Tomasz, Ambrogi, Fabrizio, Kmicikiewicz, Michał, Wichard, Jörg, Karawajczyk, Anna

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Comprehensive and Automated Linear Interaction Energy Based Binding-Affinity Prediction for Multifarious Cytochrome P450 Aromatase Inhibitors von van Dijk, Marc, ter Laak, Antonius M, Wichard, Jörg D, Capoferri, Luigi, Vermeulen, Nico P. E, Geerke, Daan P

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Genotoxicity Assessment of Drug Metabolites in the Context of MIST and Beyond von Zeller, Andreas, Brigo, Alessandro, Brink, Andreas, Guerard, Melanie, Lang, Dieter, Muster, Wolfgang, Runge, Frank, Sutter, Andreas, Vock, Esther, Wichard, Jörg, Schadt, Simone

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Forecasting the NN5 time series with hybrid models von Wichard, Jörg D.

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Chemogenomic analysis of G-protein coupled receptors and their ligands deciphers locks and keys governing diverse aspects of signalling von Wichard, Jörg D, Ter Laak, Antonius, Krause, Gerd, Heinrich, Nikolaus, Kühne, Ronald, Kleinau, Gunnar

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Inroads to predict in vivo toxicology-an introduction to the eTOX Project von Briggs, Katharine, Cases, Montserrat, Heard, David J, Pastor, Manuel, Pognan, François, Sanz, Ferran, Schwab, Christof H, Steger-Hartmann, Thomas, Sutter, Andreas, Watson, David K, Wichard, Jörg D

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The eTOX data-sharing project to advance in silico drug-induced toxicity prediction von Cases, Montserrat, Briggs, Katharine, Steger-Hartmann, Thomas, Pognan, François, Marc, Philippe, Kleinöder, Thomas, Schwab, Christof H, Pastor, Manuel, Wichard, Jörg, Sanz, Ferran

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Molecular evolution of a peptide GPCR ligand driven by artificial neural networks von Bandholtz, Sebastian, Wichard, Jörg, Kühne, Ronald, Grötzinger, Carsten

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Cell morphology-guided de novo hit design by conditioning GANs on phenotypic image features von Marin Zapata, Paula A., Méndez-Lucio, Oscar, Le, Tuan, Beese, Carsten Jörn, Wichard, Jörg, Rouquié, David, Clevert, Djork-Arné

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Introducing the concept of virtual control groups into preclinical toxicology testing von Steger-Hartmann, Thomas, Kreuchwig, Annika, Vaas, Lea, Wichard, Jörg, Bringezu, Frank, Amberg, Alexander, Muster, Wolfgang, Pognan, Francois, Barber, Chris

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Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept von Lisurek, Michael, Rupp, Bernd, Wichard, Jörg, Neuenschwander, Martin, von Kries, Jens Peter, Frank, Ronald, Rademann, Jörg, Kühne, Ronald

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Time series prediction with ensemble models applied to the CATS benchmark von Wichard, Jörg D., Ogorzałek, Maciej

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Computational Prediction of the Chromosome-Damaging Potential of Chemicals von Rothfuss, Andreas, Steger-Hartmann, Thomas, Heinrich, Nikolaus, Wichard, Jörg

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The eTOX data-sharing project to advance in Silico drug-induced toxicity prediction von Cases, Montserrat, Briggs, Katharine, Steger-Hartmann, Thomas, Pognan, François, Marc, Philippe, Kleinöder, Thomas, Schwab, Christof H, Pastor Maeso, Manuel, Wichard, Jörg, Sanz, Ferran

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Inroads to predict in vivo toxicology-an introduction to the eTOX Project von Briggs, Katharine, Cases, Montserrat, Heard, David J, Pastor Maeso, Manuel, Pognan, François, Sanz, Ferran, Schwab, Christof H, Steger-Hartmann, Thomas, Sutter, Andreas, Watson, David K, Wichard, Jörg

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Detecting correlation in stock market von Wichard, Jörg D., Merkwirth, Christian, Ogorzałek, Maciej

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SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER von PÜTTER, Vera, GORJANACZ, Matyas, FERRARA, Steven, James, WICHARD, Jörg, KRÖBER, Michael, FERNANDEZ-MONTALVAN, Ernesto, Amaury, GRADL, Stefan, BOUCHÉ, Léa, KORR, Daniel, TER LAAK, Antonius, BARAK, Naomi, SUTTER, Andreas, HILLIG, Roman, NEUHAUS, Roland

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