FAME 2: Simple and Effective Machine Learning Model of Cytochrome P450 Regioselectivity.

Abstract

Authors

• Martin Šícho
  Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universität Hamburg , Hamburg, 20146, Germany.
• Christina de Bruyn Kops
  Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universität Hamburg , Hamburg, 20146, Germany.
• Conrad Stork
  Faculty of Mathematics, Informatics and Natural Sciences, Department of Computer Science, Center for Bioinformatics, Universität Hamburg , Hamburg, 20146, Germany.
• Daniel Svozil
  CZ-OPENSCREEN: National Infrastructure for Chemical Biology, Laboratory of Informatics and Chemistry, Faculty of Chemical Technology, University of Chemistry and Technology Prague , 166 28 Prague 6, Czech Republic.
• Johannes Kirchmair
  Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, Faculty of Life Sciences, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria.

Keywords

External Resources