Acknowledgements (Primarily members of the InChI subcommittee and associated InChI working groups) Steve Bachrach, Colin Batchelor, John Barnard ,Evan Bolton, Steve Boyer, Steve Bryant, - PowerPoint PPT Presentation

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Acknowledgements (Primarily members of the InChI subcommittee and associated InChI working groups) Steve Bachrach, Colin Batchelor, John Barnard ,Evan Bolton, Steve Boyer, Steve Bryant,

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Title: GW CyberCorps Program Author: cspriaa Last modified by: Steve Created Date: 8/7/2012 4:58:05 PM Document presentation format: On-screen Show (4:3) – PowerPoint PPT presentation

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Title: Acknowledgements (Primarily members of the InChI subcommittee and associated InChI working groups) Steve Bachrach, Colin Batchelor, John Barnard ,Evan Bolton, Steve Boyer, Steve Bryant,


1
InChI The Worldwide Chemical Structure
StandardStephen Heller NIST
srheller_at_nist.govObjectivesDevelop a computer
algorithm to produce unique label Chemical
Identifier (InChI)Create Open Source,
non-propriety IdentifierUsed in printed and
electronic sourceEnable easier linking to
diverse data and information compilationsNot a
replacement for any existing internal structure
representations
Issues and Problems Chemicals - Equilibrated
Mixtures - Tautomerization, Protonation -
Imprecise connectivity - Organomatallics,
Boranes, and others Chemists - Differing
conventions - Depends on discipline,
education, convenience - Dont know what they
dont know Lack of support and cooperation
-IUPAC Executive Director, -a few publishers,
and -commercial (mostly pharma)
companies .
http//www.inchi-trust.org
  • Acknowledgements(Primarily members of the InChI
    subcommittee and associated InChI working
    groups)Steve Bachrach, Colin Batchelor, John
    Barnard ,Evan Bolton, Steve Boyer, Steve
    Bryant,  Szabolcs Csepregi, Rene Deplanque, Gary
    Mallard, Nicko Goncharoff, Jonathan Goodman,
    Guenter Grethe, Richard Hartshorn, Jaroslav
    Kahovec , Richard Kidd, Hans Kraut, Alexander
    Lawson, Peter Linstrom, Bill Milne, Gerry Moss,
    Peter Murray-Rust, Heike Nau, Marc Nicklaus,
    Carmen Nitsche, Matthias Nolte , Igor Pletnev,
    Josep Prous, Peter Murray-Rust, Hinnerk Rey,
    Ulrich Roessler, Roger Schenck , Martin Schmidt,
    Steve Stein, Peter Shepherd, Markus Sitzmann
    ,Chris Steinbeck, Keith Taylor, Dmitrii
    Tchekhovskoi, Bill Town, Wendy Warr, Jason
    Wilde, Tony Williams, Andrey Yerin.Special
    Acknowledgement Ted Becker Alan McNaught for
    their vision and leadership of the future of
    IUPAC nomenclature.
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