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Schofield, H.; Wiggins, G.; Willett, P. (2001)
Publisher: Elsevier
Languages: English
Types: Article
Chemoinformatics techniques are increasingly being used to analyse the huge volumes of chemical and biological data resulting from combinatorial synthesis and high-throughput screening programmes. Scientists with both the chemical and the computing skills required to carry out such analyses are currently in very short supply, this resulting in the establishment of MSc programmes for the training of chemoinformatics specialists. \ud \ud
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • 1. This database is produced by Chemical Abstracts Services, at http://www.cas.org. See also: Fisanick, W. et al. (1998) Chemical Abstracts Service Information System. Encycloped. Comput. Chem. 1, 277-315.
    • 2. This database is produced by the Cambridge Crystallographic Data Centre, at http://www.ccdc.cam.ac.uk/
    • 3. MDL Information Systems Inc. is at http://www.mdli.com
    • 4. This database is produced by the Beilstein Institute, at http://www.beilstein.com/beilst_2.shtml. See also: Heller, S.R. (1998) The Beilstein System: Strategies for Effective Searching. American Chemical Society: Washington DC; Meehan, P. and Schofield, H. (2001) CrossFire: a structural revolution for chemists. Online Inf. Rev. in press.
    • 5. Ridley, D.D. (2000) Strategies for chemical reaction searching in SciFinder. J. Chem. Inf. Comput. Sci. 40, 1077-1084; Schwall, K. and Zielenbach, K. (2000) SciFinder: A new generation of research tool. Chem. Innovat. 30(10), 45-50. Also at http://pubs.acs.org/subscribe/journals/ci/30/i10/ html/10ziel.html
    • 6. Brown, F.K. (1998) Chemoinformatics: what it is and how does it impact drug discovery? Ann. Report. Med. Chem. 33, 375-384.
    • 7. Warr, W.E. (1999) Paper presented at the 218TH ACS National Meeting, New Orleans, Aug. 22-26.
    • 8. The Engineering and Physical Sciences Research Council is at http:/www.epsrc.ac.uk
    • 9. Indiana University School of Informatics is at http://informatics.indiana.edu and http://www.informatics.iupui.edu/
    • 10. Details of the Indiana University MSc in Chemical Informatics are at www.indiana.edu/~cheminfo/informatics/ci_iu.h tml, of the UMIST MSc in Cheminformatics at http://www.umist.ac.uk/chemistry/MScChemInf .htm, and of the University of Sheffield MSc in Chemoinformatics at http://www.shef.ac.uk/~is/courses/pgrad/mscci/ mscci.html
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