Machine Learning Estimates of Natural Product Conformational Energies

• Matthias Rupp ,

  * E-mail: mrupp@mrupp.info (MR); gisbert.schneider@pharma.ethz.ch (GS)

  Current address: Department of Chemistry, University of Basel, Basel, Switzerland.

  Affiliation Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule (ETH), Zürich, Switzerland

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• Matthias R. Bauer,

  Affiliation Department of Pharmaceutical Chemistry, Eberhard Karls University, Tübingen, Germany

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• Rainer Wilcken,

  Current address: MRC LMB, Cambridge, United Kingdom.

  Affiliation Department of Pharmaceutical Chemistry, Eberhard Karls University, Tübingen, Germany

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• Andreas Lange,

  Affiliation Department of Pharmaceutical Chemistry, Eberhard Karls University, Tübingen, Germany

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• Michael Reutlinger,

  Affiliation Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule (ETH), Zürich, Switzerland

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• Frank M. Boeckler,

  Affiliation Department of Pharmaceutical Chemistry, Eberhard Karls University, Tübingen, Germany

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• Gisbert Schneider

  * E-mail: mrupp@mrupp.info (MR); gisbert.schneider@pharma.ethz.ch (GS)

  Affiliation Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule (ETH), Zürich, Switzerland

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