Spherical Harmonics Coefficients for Ligand-Based Virtual Screening of Cyclooxygenase Inhibitors

• Quan Wang,

  Affiliation Frankfurt Institute for Advanced Studies (FIAS), Goethe University, Frankfurt, Germany

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• Kerstin Birod,

  Affiliation Institute for Clinical Pharmacology, Goethe University, Frankfurt, Germany

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• Carlo Angioni,

  Affiliation Institute for Clinical Pharmacology, Goethe University, Frankfurt, Germany

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• Sabine Grösch,

  Affiliation Institute for Clinical Pharmacology, Goethe University, Frankfurt, Germany

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• Tim Geppert,

  Affiliation Institute of Pharmaceutical Sciences, Swiss Federal Institute of Technology (ETH), Zürich, Switzerland

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• Petra Schneider,

  Affiliation Institute of Pharmaceutical Sciences, Swiss Federal Institute of Technology (ETH), Zürich, Switzerland

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• Matthias Rupp ,

  Contributed equally to this work with: Matthias Rupp, Gisbert Schneider

  Current address: Institute for Pure and Applied Mathematics (IPAM), University of California, Los Angeles, Los Angeles, California, United States of America

  Affiliation Machine Learning Group, Technical University, Berlin, Germany

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• Gisbert Schneider

  Contributed equally to this work with: Matthias Rupp, Gisbert Schneider

  * E-mail: gisbert.schneider@pharma.ethz.ch

  Affiliation Institute of Pharmaceutical Sciences, Swiss Federal Institute of Technology (ETH), Zürich, Switzerland

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