Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2

DOI Web Site 被引用文献1件
  • Devendra K. Dhaked
    Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, NIH, Frederick, Maryland 21702, United States
  • Wolf-Dietrich Ihlenfeldt
    Xemistry GmbH, Hainholzweg 11, D-61479 Glashütten, Germany
  • Hitesh Patel
    Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, NIH, Frederick, Maryland 21702, United States
  • Victorien Delannée
    Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, NIH, Frederick, Maryland 21702, United States
  • Marc C. Nicklaus
    Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, NIH, Frederick, Maryland 21702, United States

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