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Many InChIs and quite some feat

Journal of Computer-Aided Molecular Design volume 29, pages 681–694 (2015)Cite this article

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Acknowledgments

I would like to thank Bernd Berger, David Evans, Steve Heller, Richard Kidd, Alan McNaught, Wolfgang Robien, Chris Steinbeck and Dmitrii Tchekhovskoi for helping me to check facts in this article. Any remaining errors and omissions in this complex compilation are my own responsibility.

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Warr, W.A. Many InChIs and quite some feat. J Comput Aided Mol Des 29, 681–694 (2015). https://doi.org/10.1007/s10822-015-9854-3

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Keywords

  • Protein Data Bank
  • Quantitative Structure Activity Relationship
  • Quantitative Structure Activity Relationship
  • Chemical Markup Language
  • Connection Table