ACD/Labs Publications and Presentations 


 
  

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Publications and Presentations made in 1999

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  • Laboratory Automation and Information Management 34 (1999) 15 - 30
    "A new approach to computer-aided molecular structure elucidation: the expert system Structure Elucidator"
    M.E. Elyashberg, K.A. Blinov, E.R. Martirosian
    Read the abstract.

  • "One-Wedge Convention for Stereochemical Representation"
    Shu-Kun Lin, Luc Patiny, Andrey Yerin and Janusz L. Wisniewski
    Read the summary.

  • Somerset, New Jersey, November 14-19 1999. Eastern Analytical Symposium
    "An Integrated Software System for Processing, Prediction and Spectral Management for NMR, MS, IR and UV-Vis"
    Antony Williams, Dmitry Mityushev, Vladimir Shilay, Mikhail Kvasha
    Download presentation in PDF format (409 Kb) or MS Word 95 format (336 Kb zip file).

  • Somerset, New Jersey, November 14-19 1999. Eastern Analytical Symposium
    "NMR Prediction Software and Tubeless NMR - an Analytical Tool for Screening of Combinatorial Libraries"
    Antony Williams, Sergey Golotvin and Sergey Bakulin
    Download presentation in PDF format (403 Kb) or MS Word 95 format (295 Kb zip file).

  • Somerset, New Jersey, November 14-19, 1999. Eastern Analytical Symposium
    "WISE - Wonderfully Innovative Structure Elucidation"
    Antony Williams, Mikhail.E. Elyashberg, Kirill.A. Blinov and E.R. Martirosian
    Download presentation in PDF format (1.16 Mb) or PowerPoint 97 format (0.74 Mb zip file).

  • Tokyo, Japan, November 2, Osaka, Japan, November 4, 1999. ACD Users Meetings
    "Developments in ACD Chromatography Software"
    Kevin Turnbull
    Download presentation in PDF format (1.29 Mb) or PowerPoint 97/2000 format (1.41 Mb zip file).

  • Tokyo, Japan, November 2, Osaka, Japan, November 4, 1999. ACD Users Meetings
    "ACD/SpecManager: A Single Tool for Overall Spectroscopic Databasing"
    Kevin Turnbull
    Download presentation in PDF format (1.02 Mb) or PowerPoint 97/2000 format (1.55 Mb zip file).

  • Tokyo, Japan, November 2, Osaka, Japan, November 4, 1999. ACD Users Meetings
    "Applications of ACD/ChemFolder"
    Kevin Turnbull
    Download presentation in PDF format (1.05 Mb) or PowerPoint 97/2000 format (1.97 Mb zip file).

  • October 1999, Cambridgesoft Catalyst
    "The Advanced Chemistry Development Toolset and the Interactive Laboratory, ACD/I-Lab"
    Antony J. Williams
    View an article (210 Kb) in PDF format.

  • Annecy, France, October 25-28, 1999. International Chemistry Information Conference-1999
    "A Corporate Solution for Structure Based Chromatography and Spectroscopy Management"
    Valeri E. Kulkov and Antony J. Williams
    Read the summary, download full article (52 Kb PDF or 294 Kb ZIP file), or view a presentation (294 Kb) in PDF format.

  • Rochester, October 19th, 1999. Northeast Regional Chromatography Discussion
    Group Presentation

    "A Chromatography Data System with Integrated Molecular Structure Management"
    Antony Williams
    Read the summary or download full article in PDF format (1.15 Mb).

  • NMR Newsletter, October 1999
    "Improved Baseline Correction of FT NMR Spectra"
    Sergey Golotvin and Antony Williams
    View the RTF Publication as a web page or download it as a 122 KB ZIP file.

  • Scientific Computing and Automation, September 1999
    "Industry Insight - The Need for Systematic Naming"
    Antony Williams, Andrey Erin
    Read the summary or download full article in PDF format (114 Kb).

  • ACS New Orleans, August 1999
    "Searching NMR Databases and Predicting NMR Spectra Over the Web"
    Val Kulkov, Antony Williams
    Read the summary or download full article in PDF format (1.53 Mb) or PowerPoint 97 format (1.91 Mb zip file).

  • ACS New Orleans, August 1999
    "Web-based access to structure-based prediction and databases for spectroscopy and physical properties"
    Antony Williams, Val Kulkov
    Read the summary or download full article in PDF format (2.08 Mb) or PowerPoint 97 format (1.58 Mb zip file).

  • ACS New Orleans, August 1999
    "High Throughput Screening Software Tools for Analytical Spectroscopy"
    Antony Williams, Val Kulkov
    Read the summary or download full article in PDF format (1.03 Mb) or PowerPoint 97 format (1.13 Mb zip file).

  • ACS New Orleans, August 1999
    "SLIMS, A Web- Based Solution For Sample, Structure and Spectral Management"
    Antony Williams
    Read the summary or download full article in PDF format (539 Kb) or PowerPoint 97 format (417 Kb zip file).

  • SMASH'99, Chicago, USA, August 15 - 18, 1999
    " NMR Prediction Software and Tubeless NMR - an Analytical Tool for Screening of Combinatorial Libraries"
    Antony Williams, Sergey Golotvin and Sergey Bakulin
    Argonne National Laboratory, Chicago, Illinois, USA
    Read the summary or download a poster in PDF format (52.3 Kb).

  • SMASH'99, Chicago, USA, August 15 - 18, 1999
    "Automated Structure Elucidation from 1D C-13 Spectral Data"
    Antony Williams, Kirill Blinov, Mikhail Elyashberg and Eduard Martirosian
    Read the summary or download full article in PDF format (1160 Kb) or PowerPoint 97 format (892 Kb zip file).

  • LIMS'99, Basel, Switzerland, June 23-25, 1999
    "The Integration of LIMS functionalities"
    Antony Williams, Val Kulkov
    Download the The Presentation in PowerPoint 97 format (149 Kb zip file) or view it as a Adobe Acrobat publication (181 Kb PDF file).

  • LIMS'99, Basel, Switzerland, June 23-25, 1999
    "The Integration of Automation and Data Management Within an R& D Environment"
    Antony Williams, Val Kulkov
    Download the The Presentation in PowerPoint 97 format (400 Kb zip file) or view it as a Adobe Acrobat publication (365 Kb PDF file).

  • LIMS'99, Basel, Switzerland, June 23-25, 1999
    "Integrating Analytical Spectroscopy to LIMS Systems"
    Antony Williams, Val Kulkov
    Download the The Presentation in PowerPoint 97 format (456 Kb zip file) or view it as a Adobe Acrobat publication (376 Kb PDF file).

  • Fifth International Conference on Chemical structures, Noordwijkerhout, The Netherlands
    June 1999
    "Automated Structure Elucidation from 1D C-13 Spectral Data"
    Michael McBrien, Antony Williams
    Download the The Presentation in PowerPoint 97 format (444 Kb zip file) or view it as a Adobe Acrobat publication (391 Kb PDF file).

  • "Comparison of the Accuracy of LogP and LogD Calculations for 22 Drugs"
    Eduard A. Kolovanov and Alanas A. Petrauskas
    View the Publication as a web page or download it as a 38 KB PDF file.

  • "Re-evaluation of logP data for 22 drugs and comparison of 6 calculation methods"
    Eduard A. Kolovanov and Alanas A. Petrauskas
    View the Publication as a web page or download it as a 98 KB PDF file.

  • 7th Brazilian NMR meeting, Angra dos Reis, Brazil
    April 1999
    "An Integrated Software System for Spectral Management and Automated Structure Elucidation"
    Antony J. Williams
    Download the The Presentation in PowerPoint 97 format (1.42 Mb zip file) or view it as a Adobe Acrobat publication (1.39 Mb PDF file).

  • "Advanced Chemistry Development in Deutschland, Osterreich & Schweiz"
    Dr. Heinz Hofmann
    View the PowerPoint 97 Presentation as a web page or download it as a 532 KB zip file.

  • "Application of Advanced Chemistry Development Software to Structure Verification and Elucidation Using NMR Data"
    Brian Carter and Antony Williams
    View the PowerPoint 97 Presentation as a web page or download it as a 323 KB zip file.

  • Pittcon'99, Orlando, Florida, March 1999
    "SEACATS - Structure Elucidation And Combinatorial And Two-dimensional Software"
    Antony J. Williams
    An overview of our recent developments in software applications for supporting the process of structure elucidation, combinatorial NMR and two-dimensional processing and prediction.
    View the PowerPoint 97 Presentation as a web page or download it as a 840 KB zip file.

  • ACS meeting, Anaheim, California, March 1999
    "An Integrated Suite of Physical Property Prediction Software for Boiling Point, Vapor Pressure, Flash Point, LogP, pKa, LogD and related properties"
    Eduard Kolovanov and Antony Williams
    View the PowerPoint 97 Presentation as a web page or download it as a 400 KB zip file.

  • ACS meeting, Anaheim, California, March 29 1999
    "ACD/ILab: chemical property predictions over the Internet using Java-enabled browsers or Windows client software"
    Antony Williams
    View the PowerPoint 97 Presentation as a web page or download it as a 639 KB zip file.

  • AMMRL logoENC meeting, Orlando Florida,
    AMMRL Session, March 1999

    NMR Desktop Software... from Processing and Prediction to Management and Structure Elucidation...What's Missing?
    Antony J. Williams
    View the PowerPoint 97 Presentation as a web page or download it as a 16 KB zip file.


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