Reaction-Driven de novo Design of Bioactive Compounds
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DFG - GEPRIS - Maschinelle Lernmethoden für die Chemische ...gepris.dfg.de/gepris/projekt ergebnisse
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Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, and Gisbert Schneider ...
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Matthias Rupp, Timon Schroeter, Ramona Steri, Ewgenij Proschak, Katja Hansen, Heiko Zettl, Oliver Rau, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider: Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist.
OPUS 4 | SQUIRRELnovo : de novo design of a PPARalpha agonist by...
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Ewgenij Proschak, Kerstin Sander, Heiko Zettl, Yusuf Tanrikulu, Petra Schneider, Oliver Rau, Holger Stark, Manfred Schubert-Zsilavecz, Gisbert Schneider.
KOPS.From machine learning to natural product derivatives that...
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... Matthias, Timon SCHROETER, Ramona STERI, Heiko ZETTL, Ewgenij PROSCHAK, Katja HANSEN, Oliver RAU, Oliver SCHWARZ, Lutz MÜLLER-KUHRT, ...
de novo drug design with deep generative models : an OpenReview
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Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak,. Sascha Weggen, Holger Stark, and Gisbert Schneider.
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Matthias Rupp
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Matthias Rupp, Timon Schroeter, Ramona Steri, Heiko Zettl, Ewgenij Proschak, Katja Hansen, Oliver Rau, Oliver Schwarz, Lutz Müller-Kuhrt, Manfred Schubert-Zsilavecz, Klaus-Robert Müller, Gisbert Schneider: From machine learning to natural product derivatives selectively activating transcription factor PPARγ, ChemMedChem, 5(2): 191–
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Ewgenij Proschak, Heiko Zettl, Yusuf Tanrikulu, Martin Weisel, Jan M. Kriegl, Oliver Rau, Manfred Schubert-Zsilavecz, Gisbert Schneider From Molecular Shape to Potent Bioactive Agents I: Bioisosteric Replacement of Molecular Fragments [Communication] ChemMedChem 2009, vol. 4, no. 1, pp. 41–44
Altmetric – DOGS: Reaction-Driven de novo Design of Bioactive...
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Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, Gisbert Schneider. Abstract.
figshare.com › articles › _Suggested_trypsin_inhibitors_Suggested trypsin inhibitors. - Figshare
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posted on , 16:35 by Markus Hartenfeller Heiko Zettl Miriam Walter Matthias Rupp Felix Reisen Ewgenij Proschak Sascha Weggen Holger Stark ...
From molecular shape to potent bioactive agents I: bioisosteric ...pubmed.ncbi.nlm.nih.gov › ...
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Authors. Ewgenij Proschak , Heiko Zettl, Yusuf Tanrikulu, Martin Weisel, Jan M Kriegl, Oliver Rau, Manfred Schubert-Zsilavecz, Gisbert Schneider ...
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From machine learning to natural product derivatives that selectively ...koreauniv.pure.elsevier.com › fingerprints
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... Ramona Steri, Heiko Zettl, Ewgenij Proschak, Katja Hansen, Oliver Rau, Oliver Schwarz, Lutz Müller-Kuhrt, Manfred Schubert-Zsilavecz, Klaus Robert Müller, ...
OUCI
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Markus Hartenfeller, Heiko Zettl, Miriam Walter, Matthias Rupp, Felix Reisen, Ewgenij Proschak, Sascha Weggen, Holger Stark, Gisbert Schneider.
From machine learning to natural product derivatives that selectively...
koreauniv.pure.elsevier.com
· Matthias Rupp, Timon Schroeter, Ramona Steri, Heiko Zettl, Ewgenij Proschak, Katja Hansen, Oliver Rau, Oliver Schwarz, Lutz Müller-Kuhrt, ...
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