Chemical Information Sources/SIRCh/Cheminformatics/Introductory Resources

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SIRCh: Selected Internet Resources for Chemistry

Tutorials[edit | edit source]
Tutorials: SMILES[edit | edit source]
Molecular Modeling[edit | edit source]
QSAR[edit | edit source]
Software[edit | edit source]
Miscellaneous[edit | edit source]
Cheminformatics Books[edit | edit source]
  • Chemometrics and chemoinformatics. Washington, DC: American Chemical Society, c2005.
  • Bunin, Barry A. Chemoinformatics: Theory, Practice, and Products. Dordrecht: Springer, 2007
  • Bajorath, Juergen, ed. Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery. Totowa, N.J.: Humana Press, c2004.
  • Gasteiger, Johann; Engle, Thomas, eds. Chemoinformatics: A Textbook. Weinheim, Germany: Wiley-VCH, 2003.
  • Gasteiger, Johann, ed. Handbook of Chemoinformatics: From Data to Knowledge. 4 vol. Weinheim, Germany: Wiley-VCH, 2003.
  • Leach, Andrew R.; Gillet, Valerie J. An Introduction to Chemoinformatics. Dordrecht: Kluwer, 2003.
  • Oprea, Tudor I. Chemoinformatics in Drug Discovery. Weinheim: Wiley-VCH, 2005.
  • Pirrung, Michael C. Molecular Diversity and Combinatorial Chemistry: Principles and Applications. Amsterdam: Elsevier, 2004.
  • Ekins, Sean, ed. Computer Applications in Pharmaceutical Research and Development. Hoboken, N.J.: Wiley, 2006.