Chemical Information Sources/SIRCh/Cheminformatics/Introductory Resources

SIRCh: Selected Internet Resources for Chemistry Tutorials Cheminformatics 101 (eMolecules) I571 Chemical Information Technology (David J. Wild, Indiana University) Molecular Conceptor Tutorials: SMILES Daylight SMILES Tutorial Molecular Modeling Molecular Docking Web (Garrett M. Morris) Molecular Descriptors Molecular Conceptor ChemTK Evaluation Package BioMolecular Explorer 3D QSAR QSAR World Software Software links - from the Cheminformatics and QSAR Society Vigyaan - bio/chemical software workbench Miscellaneous The Obernai Declaration (from the Workshop Cheminformatics in Europe: Research and Teaching, 2006) Bibliography - Chemical Information Retrieval and 3D Searching - Greg Paris Chemoinf.com - The Chemoinformatics Hub An (Opinionated) Guide to Microarray Data Analysis (Mark Reimers) Dalke Scientific (Cheminformatics Python programming) JOELib - cheminformatics library [CDK] The Chemistry Development Kit OpenBabel iBabel Frowns ChemoInformatics System cheminfo.org CML (Chemical Markup Language) Discussion Forum MQL – Molecular Query Language Unofficial InChI FAQ Cheminformatics Books 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.