Efficient multi-objective molecular optimization in a continuous latent space von Winter, Robin, Montanari, Floriane, Steffen, Andreas, Briem, Hans, Noé, Frank, Clevert, Djork-Arné

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Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer von Lücking, Ulrich, Scholz, Arne, Lienau, Philip, Siemeister, Gerhard, Kosemund, Dirk, Bohlmann, Rolf, Briem, Hans, Terebesi, Ildiko, Meyer, Kirstin, Prelle, Katja, Denner, Karsten, Bömer, Ulf, Schäfer, Martina, Eis, Knut, Valencia, Ray, Ince, Stuart, von Nussbaum, Franz, Mumberg, Dominik, Ziegelbauer, Karl, Klebl, Bert, Choidas, Axel, Nussbaumer, Peter, Baumann, Matthias, Schultz‐Fademrecht, Carsten, Rühter, Gerd, Eickhoff, Jan, Brands, Michael

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Facing the Challenges of Structure-Based Target Prediction by Inverse Virtual Screening von Schomburg, Karen T, Bietz, Stefan, Briem, Hans, Henzler, Angela M, Urbaczek, Sascha, Rarey, Matthias

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Synthesis-Aware Generation of Structural Analogues von Dolfus, Uschi, Briem, Hans, Rarey, Matthias

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Visualizing Generic Reaction Patterns von Dolfus, Uschi, Briem, Hans, Rarey, Matthias

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Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead Structures von Dolfus, Uschi, Briem, Hans, Gutermuth, Torben, Rarey, Matthias

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Galileo: Three-dimensional searching in large combinatorial fragment spaces on the example of pharmacophores von Meyenburg, Christian, Dolfus, Uschi, Briem, Hans, Rarey, Matthias

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Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS–SOS1 interaction von Hillig, Roman C., Sautier, Brice, Schroeder, Jens, Moosmayer, Dieter, Hilpmann, André, Stegmanna, Christian M., Werbeck, Nicolas D., Briem, Hans, Boemer, Ulf, Weiske, Joerg, Badock, Volker, Mastouri, Julia, Petersen, Kirstin, Siemeister, Gerhard, Kahmann, Jan D., Wegener, Dennis, Böhnke, Niels, Eis, Knut, Graham, Keith, Wortmann, Lars, von Nussbaum, Franz, Bader, Benjamin

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An approach towards enhancement of a screening library: The Next Generation Library Initiative (NGLI) at Bayer — against all odds? von Follmann, Markus, Briem, Hans, Steinmeyer, Andreas, Hillisch, Alexander, Schmitt, Monika H., Haning, Helmut, Meier, Heinrich

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Diversity-oriented multi-compound synthesis optimization von Briem, Hans, Gläser, Lukas, Mogk, Georg, Schaudt, Oliver

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Mono- and multimeric PSMA-targeting small molecule-thorium-227 conjugates for optimized efficacy and biodistribution in preclinical models von Böhnke, Niels, Indrevoll, Bård, Hammer, Stefanie, Papple, Alex, Kristian, Alexander, Briem, Hans, Celik, Arif, Mumberg, Dominik, Cuthbertson, Alan, Zitzmann-Kolbe, Sabine

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Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer von Lücking, Ulrich, Kosemund, Dirk, Böhnke, Niels, Lienau, Philip, Siemeister, Gerhard, Denner, Karsten, Bohlmann, Rolf, Briem, Hans, Terebesi, Ildiko, Bömer, Ulf, Schäfer, Martina, Ince, Stuart, Mumberg, Dominik, Scholz, Arne, Izumi, Raquel, Hwang, Stuart, von Nussbaum, Franz

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Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods von Breznik, Marko, Ge, Yunhui, Bluck, Joseph P., Briem, Hans, Hahn, David F., Christ, Clara D., Mortier, Jérémie, Mobley, David L., Meier, Katharina

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Binding Kinetics Survey of the Drugged Kinome von Georgi, Victoria, Schiele, Felix, Berger, Benedict-Tilman, Steffen, Andreas, Marin Zapata, Paula A, Briem, Hans, Menz, Stephan, Preusse, Cornelia, Vasta, James D, Robers, Matthew B, Brands, Michael, Knapp, Stefan, Fernández-Montalván, Amaury

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Damage Incorporated: Discovery of the Potent, Highly Selective, Orally Available ATR Inhibitor BAY 1895344 with Favorable Pharmacokinetic Properties and Promising Efficacy in Monot... von Lücking, Ulrich, Wortmann, Lars, Wengner, Antje M, Lefranc, Julien, Lienau, Philip, Briem, Hans, Siemeister, Gerhard, Bömer, Ulf, Denner, Karsten, Schäfer, Martina, Koppitz, Marcus, Eis, Knut, Bartels, Florian, Bader, Benjamin, Bone, Wilhelm, Moosmayer, Dieter, Holton, Simon J, Eberspächer, Uwe, Grudzinska-Goebel, Joanna, Schatz, Christoph, Deeg, Gesa, Mumberg, Dominik, von Nussbaum, Franz

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Computational Macrocyclization: From de novo Macrocycle Generation to Binding Affinity Estimation von Wagner, Vincent, Jantz, Linda, Briem, Hans, Sommer, Kai, Rarey, Matthias, Christ, Clara D.

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Discovery of BAY-985, a Highly Selective TBK1/IKKε Inhibitor von Lefranc, Julien, Schulze, Volker Klaus, Hillig, Roman Christian, Briem, Hans, Prinz, Florian, Mengel, Anne, Heinrich, Tobias, Balint, Jozsef, Rengachari, Srinivasan, Irlbacher, Horst, Stöckigt, Detlef, Bömer, Ulf, Bader, Benjamin, Gradl, Stefan Nikolaus, Nising, Carl Friedrich, von Nussbaum, Franz, Mumberg, Dominik, Panne, Daniel, Wengner, Antje Margret

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The Lab Oddity Prevails: Discovery of Pan-CDK Inhibitor (R)-S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-hydroxy-1-methylpropyl]oxy}-5-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)sulfoximid... von Lücking, Ulrich, Jautelat, Rolf, Krüger, Martin, Brumby, Thomas, Lienau, Philip, Schäfer, Martina, Briem, Hans, Schulze, Julia, Hillisch, Alexander, Reichel, Andreas, Wengner, Antje Margret, Siemeister, Gerhard

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Computational Macrocyclization: From denovo Macrocycle Generation to Binding Affinity Estimation von Wagner, Vincent, Jantz, Linda, Briem, Hans, Sommer, Kai, Rarey, Matthias, Christ, Clara D

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Discovery of BAY-405: An Azaindole-Based MAP4K1 Inhibitor for the Enhancement of T‑Cell Immunity against Cancer von Mowat, Jeffrey, Carretero, Rafael, Leder, Gabriele, Aiguabella Font, Nuria, Neuhaus, Roland, Berndt, Sandra, Günther, Judith, Friberg, Anders, Schäfer, Martina, Briem, Hans, Raschke, Marian, Miyatake Ondozabal, Hideki, Buchmann, Bernd, Boemer, Ulf, Kreft, Bertolt, Hartung, Ingo V., Offringa, Rienk

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