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From Machine Learning to Natural Product Derivatives that Selectively Activate Transcription Factor PPARγ
Authors:Matthias Rupp  Timon Schroeter Dr.  Ramona Steri  Heiko Zettl Dr.  Ewgenij Proschak Dr.  Katja Hansen  Oliver Rau Dr.  Oliver Schwarz Dr.  Lutz Müller‐Kuhrt Dr.  Manfred Schubert‐Zsilavecz Prof. Dr.  Klaus‐Robert Müller Prof. Dr.  Gisbert Schneider Prof. Dr.
Affiliation:1. Goethe University, Chair for Chem‐ and Bioinformatics, LIFF, ZAFES, Siesmayerstr. 70, 60323 Frankfurt a.M. (Germany);2. Technical University of Berlin, Chair for Machine Learning, Franklinstr. 28/29, 10587 Berlin (Germany);3. Goethe University, Chair for Pharmaceutical Chemistry, LIFF, ZAFES, Max‐von‐Laue‐Str. 9, 60438 Frankfurt a.M. (Germany);4. AnalytiCon Discovery GmbH, Hermannswerder Haus 17, 14473 Potsdam (Germany);5. Present address: ETH Zürich, Institute of Pharmaceutical Sciences, Wolfgang‐Pauli‐Str. 10, 8093 Zürich (Switzerland)
Abstract:
Keywords:drug design  machine learning  natural products  NMR  virtual screening
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