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Publications and Presentations made in 2003 |
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November 4, 2003, ACD/Labs NJ Chromatography Seminar
"Scientific Column Selection with ACD/Column Selector"
Mike McBrien
Read the abstract or download the presentation in MS PowerPoint (1533 kb ZIP file) or Adobe Acrobat format (1110 kb PDF file).
November 4, 2003, ACD/Labs NJ Chromatography Seminar
"Method selection in high-throughput analysis-ChromGenius for combinatorial and walk-up chromatography"
Mike McBrien
Read the abstract or download the presentation in MS PowerPoint (436 kb ZIP file) or Adobe Acrobat format (773 kb PDF file).
November 4, 2003, ACD/Labs NJ Chromatography Seminar
"Streamlining Separations Chromatographic Software Tools"
Mike McBrien
Read the abstract or download the presentation in MS PowerPoint (2481 kb ZIP file) or Adobe Acrobat format (2538 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"Chromatographic Method Development Is Longer and More Expensive Than it Has to Be" (in Japanese)
Geoff Lumby
Download the presentation in MS PowerPoint (1357 kb ZIP file) or Adobe Acrobat format (1563 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"System Integration Using ACD/Labs Products" (in Japanese)
Kazumasa Furuta
Download the presentation in MS PowerPoint (763 kb ZIP file) or Adobe Acrobat format (343 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"How to Use ACD/Labs Databases" (in Japanese)
Takayuki Yatogo
Download the presentation in MS PowerPoint (397 kb ZIP file) or Adobe Acrobat format (619 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"On Calculated Properties in Medicinal Chemistry"
Christopher A. Lipinski
Download the presentation in MS PowerPoint (376 kb ZIP file) or Adobe Acrobat format (525 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"Introduction of New Version 7.0" (in Japanese)
Masahiro Arita
Download the presentation in MS PowerPoint (2648 kb ZIP file) or Adobe Acrobat format (2120 kb PDF file).
October 23-24, 2003, Tokyo, Japan, ACD/Labs Japanese Users' Meeting
"Filters and choices in early drug discovery"
Christopher A. Lipinski
Download the presentation in MS PowerPoint (805 kb ZIP file) or Adobe Acrobat format (849 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"The Key Role of Content Databases"
Ray Labinas, Guy Desmarquets, Gerd Rheinwald, Tony Williams
Read the abstract or download the presentation in MS PowerPoint (1208 kb ZIP file) or Adobe Acrobat format (1586 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"High sensitivity 13C 1D DEPT-135 NMR for Component Analysis"
Istvan Pelczer
Read the abstract or download the presentation in Adobe Acrobat format (999 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"ACD/Combi NMR: 1H and 13C Automated Verification"
Brent Lefebvre, Tony Williams and Sergey Golotvin
Read the abstract or download the presentation in MS PowerPoint (1229 kb ZIP file) or Adobe Acrobat format (1228 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"What's Available On-Line?"
Kevin Turnbull, Tony Williams, Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (6868 kb ZIP file) or Adobe Acrobat format (4116 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"ACD/Structure Elucidator: Metrics and Measures of Success"
Brent Lefebvre, Tony Williams, Kirill Blinov and Arvin Moser
Read the abstract or download the presentation in MS PowerPoint (825 kb ZIP file) or Adobe Acrobat format (924 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"Chemistry in Your Palm or Your Pocket"
Vince Dillman, Tony Williams, Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (1328 kb ZIP file) or Adobe Acrobat format (1796 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"Metabonomics Data Processing"
Brent Lefebvre, Sergey Golotvin
Read the abstract or download the presentation in MS PowerPoint (960 kb ZIP file) or Adobe Acrobat format (1027 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"What's New in ACD/2D NMR - Improvements and Additions"
Brent Lefebvre, Tony Williams, Mikhail Kvasha and Ray Labinas
Read the abstract or download the presentation in MS PowerPoint (2061 kb ZIP file) or Adobe Acrobat format (1810 kb PDF file).
October 2nd, 2003, Princeton, NJ, USA, ACD/Labs NMR Seminar
"An Overview of What's New for 1D NMR Processing, Databasing, and Prediction"
Brent Lefebvre, Tony Williams, Dmitry Mityushev, Mikhail Kvasha and Sergey Golotvin
Read the abstract or download the presentation in MS PowerPoint (4285 kb ZIP file) or Adobe Acrobat format (3616 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"ChirBase Database for Separation of Enantiomers"
Patrick Piras
Read the abstract or download the presentation in MS PowerPoint (134 kb ZIP file) or Adobe Acrobat format (239 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Measuring and Predicting in PhysChem: Achieving Accuracy and Throughput"
Robert S. DeWitte, Daria Jouravleva
Read the abstract or download the presentation in MS PowerPoint (2763 kb ZIP file) or Adobe Acrobat format (2038 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Mobile Chemistry: Chemistry Applications in Your Palm and Your Pocket"
Dr. Robin Martin, Dr. Antony Williams
Read the abstract or download the presentation in MS PowerPoint (1395 kb ZIP file) or Adobe Acrobat format (1856 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"ACD/Labs Developments in UV-IR Processor and Manager: Introducing SIMPLISMA"
Michel Hachey, Daria Jouravleva
Read the abstract or download the presentation in MS PowerPoint (1806 kb ZIP file) or Adobe Acrobat format (2408 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"ACD/Labs Systematic Naming: Deploying the Industry Standard Within an Organisation"
Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (6061 kb ZIP file) or Adobe Acrobat format (4830 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Integrated Databasing Technologies in the Universe of ACD/Labs Technologies"
Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (3507 kb ZIP file) or Adobe Acrobat format (3381 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Deploying ChemAnalytics™ Within an Organization.
Web Librarian: Advances in Web-based Deployment of Analytical Knowledge"
Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (10783 kb ZIP file) or Adobe Acrobat format (9435 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"I-Lab: An Enterprise Deployment Technology for
ACD/Labs Prediction Modules"
Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (10783 kb ZIP file) or Adobe Acrobat format (9435 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Integrating ACD/Labs Enterprise Solution in a Laboratory Workflow"
Guy Desmarquets
Read the abstract or download the presentation in MS PowerPoint (10783 kb ZIP file) or Adobe Acrobat format (9435 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"The Key Role of Content Databases"
Gerd Rheinwald (ScienceServe)
Read the abstract or download the presentation in MS PowerPoint (951 kb ZIP file) or Adobe Acrobat format (4356 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Software and Chromatographic Method Development"
Mike McBrien
Read the abstract or download the presentation in MS PowerPoint (952 kb ZIP file) or Adobe Acrobat format (2040 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Fragment Prediction for Structural Elucidation Studies"
Mark Bayliss
Read the abstract or download the presentation in MS PowerPoint (1916 kb ZIP file) or Adobe Acrobat format (3695 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Analytical Data Management: a case study"
Wim Luijten (Technologie Servier)
Read the abstract or download the presentation in MS PowerPoint (662 kb ZIP file) or Adobe Acrobat format (3523 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Processing of Mass Spectrometric Data from in vitro Metabolism Studies"
David Spencer Jones (NeuroSearch)
Read the abstract or download the presentation in MS PowerPoint (564 kb ZIP file) or Adobe Acrobat format (421 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"ChromGenius and AutoChrom: Visions in Method Development"
Mike McBrien
Read the abstract or download the presentation in MS PowerPoint (568 kb ZIP file) or Adobe Acrobat format (1360 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Advances in NMR Software Solutions"
Brent Lefebvre, Tony Williams, Dmitry Mityushev, Mikhail Kvasha and Sergey Golotvin
Read the abstract or download the presentation in MS PowerPoint (2535 kb ZIP file) or Adobe Acrobat format (1922 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"ACD/Structure Elucidator: Metrics and Measures of Success"
Brent Lefebvre, Tony Williams, Kirill Blinov, and Arvin Moser
Read the abstract or download the presentation in MS PowerPoint (1294 kb ZIP file) or Adobe Acrobat format (871 kb PDF file).
September 23 - 24, 2003, Obernai, France, ACD/Labs European Users' Meeting
"Metabonomics Data Processing"
Brent Lefebvre, Sergey Golotvin
Read the abstract or download the presentation in MS PowerPoint (1112 kb ZIP file) or Adobe Acrobat format (981 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"Combinatorial Chemistry Problems and ACD/Combi NMR"
Brent Lefebvre
Download the presentation in MS PowerPoint (5707 kb ZIP file) or Adobe Acrobat format (618 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"ACD/NMR Processor, ACD/NMR Manager, ACD/HNMR, ACD/CNMR,
and ACD/XNMR. What's New for 7.0"
Brent Lefebvre
Download the presentation in MS PowerPoint (4937 kb ZIP file) or Adobe Acrobat format (3621 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"What's New in ACD/Labs 2D NMR - Improvements and additions"
Dr Leslie Hughes
Download the presentation in MS PowerPoint (2156 kb ZIP file) or Adobe Acrobat format (1862 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"NMR Tube to Elucidated Structure"
Mike Frey (JEOL USA, Inc.)
Download the presentation in MS PowerPoint (1240 kb ZIP file) or Adobe Acrobat format (2123 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"Mobile Chemistry: Structure Databases in Your Palm and Your Pocket"
Guy Desmarquets
Download the presentation in MS PowerPoint (1511 kb ZIP file) or Adobe Acrobat format (1980 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"What's Available
on-line? Live Update, Tech Support, I-Lab, and Web Librarian. Extending the Technology to Enterprise Deployment"
Guy Desmarquets
Download the presentation in MS PowerPoint (10360 kb ZIP file) or Adobe Acrobat format (10250 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"A Users Guide to ACD/Structure Elucidator. Structure Elucidation of 1,1'-[10-(2,2-dimethylpropanoyl)-7-hydroxy-4,6-dioxa-1-azatricyclo-[ 3.3.1.1 3,7 ]decane-3,5-diyl]bis(3,3-dimethylbutan-2-one)"
Gerd Rheinwald
Download the presentation in MS PowerPoint (1954 kb ZIP file) or Adobe Acrobat format (3751 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"ACD/Structure Elucidator: Metrics and Measures of Success"
Brent Lefebvre
Download the presentation in MS PowerPoint (1293 kb ZIP file) or Adobe Acrobat format (1641 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"Automated Metabonomics Data Preparation"
Brent Lefebvre, Arvin Moser, and Sergey Golotvin (ACD/Labs) and Steve Castellino and Steven Novick (GlaxoSmithKline)
Download the poster in Adobe Acrobat format (1104 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"All Good Things to Those Who Wait the Application of Automated Structure ElucidationTools to Solve a Structure after 10 Years of Effort"
Kirill Blinov, Mikhail Elyashberg, Antony Williams, Gary Martin, Chad Hadden, Dave Russell
Download the poster in Adobe Acrobat format (400 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"Spectroscopic Validation of Structures Assisted by Prediction and auto-assignment Algorithms - Verification Analysis of High-Resolution 1H and 13C NMR spectra"
Sergey Golotvin, Mikhail Kvasha, Nikolay Larin, Eugeny Vodopianov, Brent Lefebvre, Antony Williams
Download the poster in Adobe Acrobat format (2201 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"13C NMR Chemical Shift Prediction: A Comparison of Methods and a Case StudyAnalysis of TAXOL"
Brent Lefebvre and Antony Williams
Download the poster in Adobe Acrobat format (809 kb PDF file).
September 14 - 17, 2003, Verona, Italy, SMASH
"15N Chemical Shift Prediction Databases, Algorithms, and Applications"
Dmitry Mityushev, Mikhail Kvasha, Brent Lefebvre, Antony Williams, Gary Martin
Download the poster in Adobe Acrobat format (682 kb PDF file).
September 8, 2003, New York, NY, USA, ACD/Labs ACS Fall Academic Workshop
"Meeting the Diverse Analytical Data Management Needs of the Food Chemist"
Daria Jouravleva, Scott MacDonald
Read the abstract or download the presentation in MS PowerPoint (1253 kb ZIP file) or Adobe Acrobat format (1308 kb PDF file).
September 8, 2003, New York, NY, USA, ACD/Labs ACS Fall Academic Workshop
"Software Tools for enhancing the educational experience"
Scott MacDonald
Read the abstract or download the presentation in MS PowerPoint (4561 kb ZIP file) or Adobe Acrobat format (4630 kb PDF file).
September 8, 2003, New York, NY, USA, ACD/Labs ACS Fall Academic Workshop
"Mobile chemistry: Structure databases in your palm and your pocket"
Antony John Williams and Valery Tkachenko
Read the abstract or download the presentation in MS PowerPoint (1325 kb ZIP file) or Adobe Acrobat format (1754 kb PDF file).
September 8, 2003, New York, NY, USA, ACD/Labs ACS Fall Academic Workshop
"Teaching nomenclature through a software experience"
Robin Martin, Antony Williams, Bert Ramsay, and Scott Macdonald
Read the abstract or download the presentation in MS PowerPoint (919 kb ZIP file) or Adobe Acrobat format (925 kb PDF file).
Ann. Magn. Reson., 2, 1-31 (2003)
"Applications and Advances in Cryogenic NMR Probes & Computer-Assisted Structure Elucidation"
G.E. Martin, et. al.
Read the abstract or download the article in MS Word (2.59 Mb ZIP file) or PDF format (1.89 Mb).
August 31 - September 5, 2003, IMSC, Edinburgh, Scotland
"Advances in the extraction of spectra and the elucidation of MS and MS/MS data to help in the characterization of structure in metabolic and impurity studies"
Mark Bayliss, Vitaly Lashin, Antony Williams, Kevin Owens
Read the abstract.
Analytica Chimica Acta. August 2003; 490(1): 41-58
"Mutual peak matching in a series of HPLC-DAD mixture analyses"
Andrey Bogomolov, Michael McBrien
Read the abstract or download the article at the ScienceDirect® website.
PharmaChem. 2003; July/August: 30-33
"Product Focused Drug Discovery"
Robert S. DeWitte
Read the abstract or view the article at the PharmaChem website.
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July 16 - 18, 2003, The 44th Annual Meeting of the American Society of Pharmacognosy, Chapel Hill, NC, USA
"All Good Things to Those Who Wait: Solving a Structure Computationally After 10 Years of Human Effort"
Antony Williams, Gary Martin, Kirill Blinov and Mikhail Elyashberg
Read the abstract or download the presentation in MS PowerPoint (4812 kb ZIP file) or Adobe Acrobat format (4505 kb PDF file).
Magn. Reson. Chem. 2003; 41: 577-584
"Quindolinocryptotackieine: The Elucidation of a Novel Indoloquinoline Alkaloid Structure through the use of Computer-Assisted Structure Elucidation and 2D NMR"
Kirill Blinov, Mikhail Elyashberg, Eduard R. Martirosian, Sergey G. Molodtsov, Antony J. Williams, Maged M. H. Sharaf and Paul L. Schiff, Jr., Ronald C. Crouch, Gary E. Martin, Chad E. Hadden, and Jane E. Guido
Read the abstract.
Scientific Computing & Instrumentation™, June 2003, p. 18 - 20
"Chemistry Databases in the Palm of Your Hand: New Palm and Pocket PC utilities useful in the laboratory"
Antony J. Williams
Read the article at the SC&I's web site or download it in Adobe Acrobat format (591 kb PDF file).
June 18, 2003, ACD/Labs HPLC Seminar, Nice Acropolis, Nice, France
"Streamlining Separations. ACD/Labs Chromatographic Software Tools"
Mike McBrien
Download the presentation in MS PowerPoint (1532 kb ZIP file) or Adobe Acrobat format (1730 kb PDF file).
The Application Notebook, Supplement to LCGC, June 2003: 40
"Web Librarian Chromatographic Method Development"
David Powers, Michael McBrien, and Eduard Kolovanov
Read the abstract or download the article in PDF format (363 Kb).
May 12, 2003, ACD/Labs RTP Seminar, Research Triangle Park, NC, USA
"Measuring & Predicting: Achieving Accuracy and Throughput"
Robert S. DeWitte
Download the presentation in MS PowerPoint (2383 kb ZIP file) or Adobe Acrobat format (1541 kb PDF file).
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May 5 - 9, 2003, 9th Brazilian NMR Users Meeting, Rio de Janeiro, Brazil
"Applications and Advances with Cryoprobes and Computer-Assisted Structure Elucidation"
Gary E. Martin
Download the presentation in MS PowerPoint (3758 kb ZIP file) or Adobe Acrobat format (1968 kb PDF file).
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April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Recent Advances for ACD/Structure Elucidator"
Brent Lefebvre
Download the presentation in MS PowerPoint (1291 kb ZIP file) or Adobe Acrobat format (329 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/NMR Processor, ACD/NMR Manager, ACD/HNMR, ACD/CNMR, and ACD/XNMR. What's New for 7.0"
Brent Lefebvre
Download the presentation in MS PowerPoint (4934 kb ZIP file) or Adobe Acrobat format (3616 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/2D NMR Manager, and ACD/2D NMR Predictor. What's New for 7.0"
Brent Lefebvre
Download the presentation in MS PowerPoint (3456 kb ZIP file) or Adobe Acrobat format (1900 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/Chromatography: What's New in 7.0"
Mike McBrien
Download the presentation in MS PowerPoint (1447 kb ZIP file) or Adobe Acrobat format (1522 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/ChromGenius: High Throughput Selection of Generic Methods"
Mike McBrien
Download the presentation in MS PowerPoint (792 kb ZIP file) or Adobe Acrobat format (865 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Automated method selection for fast LC-MS: Introducing "ChromGenius""
Richard J. Taylor
Download the presentation in MS PowerPoint (451 kb ZIP file) or Adobe Acrobat format (133 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/Combi NMR. Automated Structure Verification on Plates"
Brent Lefebvre
Download the presentation in MS PowerPoint (817 kb ZIP file) or Adobe Acrobat format (841 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/Labs"
Antony Williams
Download the presentation in MS PowerPoint (78 kb ZIP file) or Adobe Acrobat format (382 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Streamlining Separations: ACD/Method Development Suite"
M. McBrien
Download the presentation in MS PowerPoint (1337 kb ZIP file) or Adobe Acrobat format (1492 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Clinical Applications of Metabonomics"
John Shockcor, Andy Nicholls
Download the presentation in MS PowerPoint (2364 kb ZIP file) or Adobe Acrobat format (3730 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"MS Manager: What's New For Version 7.0"
Mark Bayliss
Download the presentation in MS PowerPoint (5951 kb ZIP file) or Adobe Acrobat format (6379 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"The Complete range of ACD/Labs PhysChem Products (including what's new in 7.0)"
Guy Desmarquets
Download the presentation in MS PowerPoint (2552 kb ZIP file) or Adobe Acrobat format (2826 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Quality first in systematic naming. What's New in 7.0"
Guy Desmarquets
Download the presentation in MS PowerPoint (4370 kb ZIP file) or Adobe Acrobat format (5531 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Spectroscopic Validation of Structure using Mass Spectrometry"
Mark Bayliss
Download the presentation in MS PowerPoint (7604 kb ZIP file) or Adobe Acrobat format (6294 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/UV-IR Processor and Manager: Introducing SIMPLISMA and other new capabilities in version 7.0"
Michel R. Hachey
Download the presentation in MS PowerPoint (2718 kb ZIP file) or Adobe Acrobat format (3264 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Spectroscopic Validation of Structures Assisted by NMR Prediction, and Auto-Assignment Algorithms"
Brent Lefebvre
Download the presentation in MS PowerPoint (2792 kb ZIP file) or Adobe Acrobat format (1589 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Probing Biofluids Using NMR Spectroscopy, Mass Spectrometry And Metabonomics"
Andrew Nicholls & John Shockcor
Download the presentation in MS PowerPoint (1153 kb ZIP file) or Adobe Acrobat format (1557 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"The Key role of ACD/Labs Content Databases"
Leslie Hugues
Download the presentation in MS PowerPoint (1264 kb ZIP file) or Adobe Acrobat format (1727 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Mobile Chemistry"
Antony Williams
Download the presentation in MS PowerPoint (1841 kb ZIP file) or Adobe Acrobat format (2437 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"Metabolite Identification by Mass Spectrometry"
Mark Bayliss
Download the presentation in MS PowerPoint (3763 kb ZIP file) or Adobe Acrobat format (13315 kb PDF file).
April 7 - 8, 2003, Slough, Berkshire, UK, ACD/Labs United Kingdom Users' Meeting
"ACD/Labs Enterprise Solutions"
Guy Desmarquets
Download the presentation in MS PowerPoint (15002 kb ZIP file) or Adobe Acrobat format (19093 kb PDF file).
Magn. Reson. Chem. 2003; 41: 359-372
"Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system"
Kirill A. Blinov, Dean Carlson, Mikhail E. Elyashberg, Gary E. Martin, Eduard R. Martirosian, Sergey Molodtsov and Antony J. Williams
Read the summary.
March 31 - April 4, 2003, Savannah, GA, USA, ENC
"All Good Things to Those Who Wait the Application of Automated Structure ElucidationTools to Solve a Structure after 10 Years of Effort"
Kirill Blinov, Mikhail Elyashberg, Antony Williams, Gary Martin, Chad Hadden, Dave Russell
Download the poster in Adobe Acrobat format (400 kb PDF file).
March 31 - April 4, 2003, Savannah, GA, USA, ENC
"Spectroscopic Validation of Structures Assisted by Prediction and auto-assignment Algorithms - Verification Analysis of High-Resolution 1H and 13C NMR spectra"
Sergey Golotvin, Mikhail Kvasha, Nikolay Larin, Eugeny Vodopianov, Brent Lefebvre, Antony Williams
Download the poster in Adobe Acrobat format (2201 kb PDF file).
March 31 - April 4, 2003, Savannah, GA, USA, ENC
"13C NMR Chemical Shift Prediction: A Comparison of Methods and a Case StudyAnalysis of TAXOL"
Brent Lefebvre and Antony Williams
Download the poster in Adobe Acrobat format (809 kb PDF file).
March 31 - April 4, 2003, Savannah, GA, USA, ENC
"15N Chemical Shift Prediction Databases, Algorithms, and Applications"
Dmitry Mityushev, Mikhail Kvasha, Brent Lefebvre, Antony Williams, Gary Martin
Download the poster in Adobe Acrobat format (682 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"What's New in ACD/NMR Predictors and ACD/NMR Manager version 7"
Brent Lefebvre, Tony Williams, Dmitry Mitushev, Mikhail Kvasha, and Sergey Golotvin
Read the summary or download the presentation in MS PowerPoint (4293 kb ZIP file) or Adobe Acrobat format (2977 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"What's New in ACD/2D NMR Manager"
Brent Lefebvre
Read the summary or download the presentation in MS PowerPoint (3453 kb ZIP file) or Adobe Acrobat format (2181 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"ACD/Combi NMR Automated Structure Verification on Plates"
Andrew Anderson
Read the summary or download the presentation in MS PowerPoint (799 kb ZIP file) or Adobe Acrobat format (275 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"QSDAR Modeling"
Rick Beger
Read the summary or download the presentation in MS PowerPoint (199 kb ZIP file) or Adobe Acrobat format (353 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"Identifying Residues in Natural Organic Matter through Spectral Prediction and Pattern Matching of 2-D datasets"
Andre J. Simpson, Myrna Simpson, Brent Lefebvre, Arvin Moser, Antony Williams, Sergey Golotvin, Mikhail Kvasha, William L. Kingery, Brian Kelleher
Read the summary or download the presentation in MS PowerPoint (1699 kb ZIP file) or Adobe Acrobat format (1316 kb PDF file).
March 30, 2003, Savannah, GA, USA, ACD/Labs ENC Seminar
"Dusting off the Data: Solving a Challenging Structural Problem a Decade Later"
G.E. Martin, C.E. Hadden, D.J. Russell, K. Blinov, M. Elyashberg, and A.J. Williams
Read the summary or download the presentation in MS PowerPoint (2358 kb ZIP file) or Adobe Acrobat format (1258 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"A System for Automated Chromatographic Method Development Utilizing Secondary Detection Techniques"
Mike McBrien, Eduard Kolovanov, Vadim Tashlitsky, Ralf Honsberg, Michael Kraft
Read the summary or download the presentation in MS PowerPoint (1928 kb ZIP file) or Adobe Acrobat format (1338 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Highly Accurate Prediction of Retention Times in Standard Gradient Chromatographic Systems Based on Physicochemical Parameters"
Mike McBrien, Eduard Kolovanov, Richard Taylor
Read the summary or download the presentation in MS PowerPoint (1075 kb ZIP file) or Adobe Acrobat format (293 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Bringing Thermal Analysis Into the Fold"
Michel R. Hachey, Andrey Y. Bogomolov, and Antony J. Williams
Read the summary or download the presentation in MS PowerPoint (1312 kb ZIP file) or Adobe Acrobat format (678 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Progress in Making Structurally Aware Software across the Electromagnetic Spectrum with a Focus on IR"
Andrey J. Bogomolov, Michel R. Hachey, Eugene Karpushkin, Antony J. Williams
Read the summary or download the presentation in MS PowerPoint (2302 kb ZIP file) or Adobe Acrobat format (1075 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Chemometric Tools for Peak Matching in Chromatographic Method Development"
Michael McBrien, Andrey Bogomolov
Read the summary or download the presentation in MS PowerPoint (604 kb ZIP file) or Adobe Acrobat format (468 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Finding Chromatographic Method Development Starting Points"
Daria Jouravleva, Eduard Kolovanov, Michael McBrien
Read the summary or download the presentation in MS PowerPoint (1848 kb ZIP file) or Adobe Acrobat format (1077 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Computer-assisted Chromatographic Method Development for Very Complex Samples Using Multiplexed MS Detection"
Mike McBrien, Eduard Kolovanov
Read the summary or download the presentation in MS PowerPoint (2750 kb ZIP file) or Adobe Acrobat format (881 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Optimization of Chromatographic Solvent Gradients using a Non-linear Prediction Model"
Mike McBrien, Eduard Kolovanov
Read the summary or download the presentation in MS PowerPoint (1594 kb ZIP file) or Adobe Acrobat format (849 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"Web-based Virtual Repository of Chromatographic and Spectral Analytical Data"
Jorge Manrique, Daria Jouravleva
Read the summary or download the presentation in MS PowerPoint (1873 kb ZIP file) or Adobe Acrobat format (1458 kb PDF file).
March 9 - 14, 2003, Orlando, FL, USA, Pittcon
"ACD/Web Librarian, or How to Make Analytical Data Available to the Whole Company"
Daria Jouravleva, Sherry Gregory
Read the summary or download the presentation in MS PowerPoint (1422 kb ZIP file) or Adobe Acrobat format (733 kb PDF file).
Current Drug Discovery. 2003; 1
"The Next Big Wave"
Robert S. DeWitte
View the summary.
The Application Notebook, Supplement to LCGC, February 2003: 52
"Application of Physicochemical Property Prediction and Structure-Enabled Databasing to Chromatographic Method Development"
David Powers, Michael McBrien, and Eduard Kolovanov
Read the abstract or download the article in PDF format (355 Kb).
The Application Notebook, Supplement to Spectroscopy, February 2003: 33
"Representation of Chemical Structures from Partial to Final Stucture-Accelerating Mass Spectrometric Interpretation"
Michel Hachey and Mark Bayliss
Read the abstract or download the article in PDF format (195 Kb).
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25 October 2007
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