EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.

Abstract

Authors

• Ganna Gryn'ova
  Heidelberg Institute for Theoretical Studies (HITS gGmbH) 69118 Heidelberg Germany.
• Tristan Bereau
  Max-Planck-Institut für Polymerforschung, Mainz, Germany.
• Carolin Müller
  Technical University of Munich, TUM School of Medicine and Health, Klinikum rechts der Isar, Research Group MITI, Munich, Germany.
• Pascal Friederich
  Institute of Theoretical Informatics, Karlsruhe Institute of Technology, Kaiserstr. 12, Karlsruhe 76131, Germany.
• Rebecca C Wade
  Molecular and Cellular Modeling Group, Heidelberg Institute of Theoretical Studies (HITS), 69118 Heidelberg, Germany.
• Ariane Nunes-Alves
  Institute of Chemistry, Technische Universität Berlin, Berlin 10623, Germany.
• Thereza A Soares
  Department of Chemistry, University of São Paulo, Ribeirão Preto 055508-090, Brazil.
• Kenneth Merz
  Department of Chemistry, Michigan State University, East Lansing 48824, Michigan, United States.

Keywords

External Resources