Journal of Magnetic Resonance
"Improved Baseline Recognition and Modeling of FT NMR Spectra"
Sergey Golotvin, Antony Williams
Download the article in PDF format (281 Kb) or RTF format (310 Kb ZIP file).

November 12 - 14, 2001, San Diego, CA, USA, Predictive and Emerging Technologies for Lead Selection and Optimization.
November 5 - 8, Boston, MA, USA, Drug Discovery by Design
"Accurate Prediction of Aqueous Solubility"
Robert DeWitte and Ed Kolovanov
Download the presentation in PDF format (740 Kb) or MS Power Point 97/2000 format (2.7 Mb ZIP file).

November 7 - 8, Obernai, 2001, France, ACD/Labs European Users' Meeting
"A Welcome Note to EUM 2001 Participants"
Val Kulkov
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Recent Advances in ACD/NMR Software Solutions"
Antony Williams
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Adventures in the Land of Cryptolepines"
Antony Williams and Gary Martin
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Applications of ACD/MS Software to Detection and Identification of Metabolites"
Antony Williams
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"ACD/UV-IR Manager and ACD/Curve Manager"
Antony Williams
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Completing the Cycle of Relating Systematic Names and Chemical Structures"
Antony Williams
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"The ACD/Labs Quality Process: Bugs, Bug Tracking and Patches"
Gavin Shear and Antony Williams
Download the presentation in PDF format (762 Kb) or MS Power Point 97/2000 format (538 Kb ZIP file).

November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"ACD/Labs Enterprise Solutions"
Antony Williams
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Utilising the ACD/Labs Chromatography Applications Database to Aid in Method Development"
Mike McBrien
Download the presentation in PDF format (1.38 Mb) or MS Power Point 97/2000 format (1.02 Mb ZIP file).

November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Viewing Chemical Structures in Waters Millennium³²"
Mike McBrien
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Recent Advances in LC and GC Simulation"
Mike McBrien
Download the presentation in PDF format (2.08 Mb) or MS Power Point 97/2000 format (1.03 Mb ZIP file).

November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Accurate Prediction of Aqueous Solubility"
Robert DeWitte and Ed Kolovanov
Download the presentation in PDF format (734 Kb) or MS Power Point 97/2000 format (2.7 Mb ZIP file).

November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"ACD/PhysChem - What's new in 5.0?"
Robert DeWitte
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"The Benefits of Capturing and Exploiting Two Different Kinds of Data: PhysChem and Chromatography"
Robert DeWitte, Mike McBrien, Ed Kolovanov
Download the presentation in PDF format (248 Kb) or MS Power Point 97/2000 format (70 Kb ZIP file).

November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"The Interactive Laboratory - Delivering ACD/Labs Predictions Via A Web Architecture"
Robert S. DeWitte, Andrey Silkin and Veronica Denega
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November 7 - 8, 2001, Obernai, France, ACD/Labs European Users' Meeting
"Integrating ACD/Labs Tools to Third Parties"
Antony Williams
Download the presentation in PDF format (2.07 Mb) or MS Power Point 97/2000 format (2.35 Mb ZIP file).

October 21 - 25, Denver, CO, USA, 2001 AAPS Annual Meeting
"ACD/PhysChem"
Robert DeWitte and Eduard Kolovanov
Download the presentation in PDF format (722 Kb) or MS Power Point 97/2000 format (2.68 Mb ZIP file).

October 21 - 25, Denver, CO, USA, 2001 AAPS Annual Meeting
"How Physical Measurements Aid Chromatographic Method Development"
Mike McBrien
Download the presentation in PDF format (1.41 Mb) or MS Power Point 97/2000 format (689 Kb ZIP file).

October 9 - 11, Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis
"Chemical Structure Based Software Tools for Metabolite Identification"
Mike McBrien and Antony Williams
Download the presentation in MS Power Point 97/2000 format (2.52 Mb ZIP file).

September 30 - October 4, Atlantic City, NJ, 40th Eastern Analytical Symposium (EAS)
"Building the Perfect Applications Database"
Sherry Gregory, Mike McBrien, Eduard Kolovanov
Read the summary or download the presentation in PDF format (1.19 Mb) or MS Power Point 97/2000 format (906 Kb ZIP file).

September 30 - October 4, Atlantic City, NJ, 40th Eastern Analytical Symposium (EAS)
"Automated Screening of Combinatorial Libraries Using NMR Prediction Software"
Dean Carlson, Antony Williams, Sergey Golotvin, Sergey Bakulin, Eugene Vodopianov
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September, 2001, Several European venues
"ACD/Labs Analytical Data Management System"
Guy Desmarquets
See the presentation as Web Pages or download it as MS Power Point 97/2000 format ZIP file (1.12 Mb).

August 27 - 29, 2001. Chicago, IL, USA, ACS Fall
"Completing the Cycle of Relating Systematic Names and Chemical Structures"
Antony Williams
Read the summary or download the presentation in PDF format (1.83 Mb) or MS Power Point 97/2000 format (2.12 Mb ZIP file).

August 27 - 29, 2001. Chicago, IL, USA, ACS Fall
"Application of physicochemical property prediction to HPLC method development"
Michael McBrien, Antony Williams, Eduard Kolovanov
Download the poster in PDF format (828 Kb).

August 27 - 29, 2001. Chicago, IL, USA, ACS Fall
"Web- based and network distribution of chromatographic methods"
Michael McBrien, Antony Williams, Eduard Kolovanov
Download the poster in PDF format (924 Kb).

July, 2001. Tokyo, ACD/Labs Japan User's Meeting 2001.
"ACD: The Company" (mainly in Japanese)
Geoff Lumby
Download the presentation in MS Power Point 97/2000 format (2.56 Mb ZIP file).

July 8 - 12, 2001. Durham, UK, 15th International Meeting on NMR Spectroscopy
"Automated Structure Elucidation of Cryptolepine Derivatives"
Antony Williams, Sergey Molodtsov, Kirill Blinov and Eduard Martirosian, Mikhail Elyashberg, Gary Martin and Chad Hadden
Read the summary, download the poster in PDF format (594 Kb) or MS Word 97 format (384 Kb ZIP file).

July 15 - 20, 2001. Bordeaux, France, 13th European Symposium on Fluorine Chemistry
"F19 NMR Prediction Software and Reference Databases as an Aid to Structure Identification"
Guy Desmarquets
Read the summary, download the presentation in PDF format (3.17 Mb) or MS Power Point 97/2000 format (1.82 Mb ZIP file).

June 17 - 22, 2001. Maastricht, The Netherlands. HPLC 2001
"Integrated Chromatography and Chemical Structure Handling. Method Development Management and LC Simulation"
Michael McBrien
Download the presentation in PDF format (2.58 Mb) or MS Power Point 97/2000 format (1.54 Mb ZIP file).

June 11, Cambridge, MA; June 12, Princeton, NJ; June 13, 2001, RTP, NC. ACD/Labs, NuGenesis and Micromass Seminar Series: A Novel, Integrated Data Management System for Advancing Drug Discovery and Development
"Structured Spectral Management - From Data to Knowledge"
Antony Williams
See the presentation in PDF format (1.72 Mb).

Techniques De L'Ingenieur, Ref. K222, Volume K2, May 2001, Chimie Organique - Support Electrique
"ACD/Name: Logiciel de génération du nom des composés organiques selon la nomenclature IUPAC"
Dr S. Jahanbakht, Dr M. Hachey, Dr G. Desmarquets
Read the English language summary or download the French language article in PDF format (86 Kb).

Fresenius J Anal Chem (2001) 369: 709 - 714
"An expert system for automated structure elucidation utilizing ¹H-¹H, ¹³C-¹H and ¹⁵N-¹H 2D NMR correlations"
K.A. Blinov , M.E. Elyashberg , S.G. Molodtsov , A.J. Williams and E.R. Martirosian
Read the summary.

May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"An Overview of ACD/MS Manager: What's New in Version 5"
Antony Williams
Download the presentation in PDF format (8.96 Mb) or MS Power Point 97/2000 format (5.32 Mb ZIP file).

May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"CODA and Compare LCMS"
Antony Williams
Download the presentation in PDF format (1.32 Mb) or MS Power Point 97/2000 format (790 Kb ZIP file).

May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"Compare LCMS - Extracting Component Differences in Similar LC/MS Data Sets"
Antony Williams, Vitaly Lashin, Ilya Troitsky, Willem Windig, William Smith, Mary Goodberlet, William Nichols
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May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"Linking External Applications to ACD/MS Manager"
Antony Williams
Download the presentation in PDF format (700 Kb) or MS Power Point 97/2000 format (599 Kb ZIP file).

May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"Using ACD/MS Manager Software for EI-MS Interpretation and Structural Confirmation of Oxazolidinones"
Timothy J. Nieuwenhuis, David M. Guido, Bruno J.D. Vansina, James E. Carlson, Olga V. Nemirovskiy, and W. Rodney Mathews, Antony J. Williams
Download the poster in PDF format (326 Kb) or MS Power Point 97/2000 format (1.74 Mb ZIP file).

May 27 - 31, 2001. Chicago, IL, USA, ASMS ACD/Labs Users Meeting
"ACD/ChromManager - Linking Chromatography and MS Data through Structures"
Michael McBrien
Download the presentation in PDF format (1.55 Mb) or MS Power Point 97/2000 format (869 Kb ZIP file).

May 26 - 30, 2001. Montreal, Canada, CSC Conference & Exhibition
"Software tools to enhance the educational experience in the classroom and laboratory"
Robin Martin
Read the summary, download the presentation in PDF format (778 Kb) or MS Power Point 97/2000 format (652 Kb ZIP file).

May 26 - 30, 2001. Montreal, Canada, CSC Conference & Exhibition
"From Spectrum to Structure: Software Strategies for Identifying Metabolites by Mass Spectrometry"
Antony Williams, Vitaly Lashin, Ilya Troitskiy, Michel Hachey
Read the summary.

May 17, 2001. Research Triangle Park, NC, 18th Triangle Chromatography Symposium
"Integrating Structures to LC/MS Processing, Prediction, and Databasing"
Antony Williams
Download the presentation in PDF format (8.26 Mb) or MS Power Point 97/2000 format (5.81 Mb ZIP file).

May 17, 2001. Research Triangle Park, NC, 18th Triangle Chromatography Symposium
"Integrated Chromatography and Chemical Structure. Handling Method Development Management and LC Simulation"
Michael McBrien
Download the presentation in PDF format (2.00 Mb) or MS Power Point 97/2000 format (1.05 Mb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"What's coming in version 5.0?"
Antony Williams
Download the presentation in PDF format (4.2 Mb) or MS Power Point 97/2000 format (1.85 Mb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"Systematic Naming and Quality"
Antony Williams
Download the presentation in PDF format (3.9 Mb) or MS Power Point 97/2000 format (1.99 Mb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"Integrated Analytical Spectroscopy Management"
Antony Williams
Download the presentation in PDF format (8.83 Mb) or MS Power Point 97/2000 format (7.24 Mb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"Integrated Chromatography and Chemical Structure Handling. Method Development Management and LC Simulation"
Michael McBrien
Download the presentation in PDF format (1.28 Mb) or MS Power Point 97/2000 format (1.04 Mb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"The Benefits of capturing and exploiting two different kinds of data: PhysChem and Chromatography"
Robert DeWitte, Mike McBrien, Eduard Kolovanov
Download the presentation in PDF format (125 Kb) or MS Power Point 97/2000 format (91 Kb ZIP file).

May 15, 2001. USA, RTP ACD/Labs Users' Meeting
"PhysChem Prediction in Pharmaceutical Discovery and Development"
Robert S DeWitte
Download the presentation in PDF format (578 Kb) or MS Power Point 97/2000 format (861 Kb ZIP file).

May 9 - 11, 2001. Nimes, France, 12th Meeting of the GGMM
"Improvement of the quality of the predictions of the physicochemical properties by the taking into account of experimental data"
Shahriar Jahanbakht
Read the summary in French or in English.

April 9 - 11, 2001. Sheffield, UK, 2nd Joint Sheffield Conference on Chemoinformatics: Computational Tools for Lead Discovery
"Better (combinatorial) screening through PhysChem"
Robert S. DeWitte
Read the summary.

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"Spring ACS 2001 Workshop"
Carlton Squires
Download the presentation in PDF format (739 Kb) or MS Power Point 97/2000 format (868 Kb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"Structured Method Development: ACD/ChromManager, ACD/LC Simulator"
Peter Frank
Download the presentation in PDF format (1.16 Mb) or MS Power Point 97/2000 format (1.10 Mb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"The Benefits of capturing and exploiting two different kinds of data: PhysChem and Chromatography"
Robert DeWitte, Mike McBrien, Eduard Kolovanov
Download the presentation in PDF format (810 Kb) or MS Power Point 97/2000 format (883 Kb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"Empirical Intelligence in Physical Property Prediction"
Robert S. DeWitte and Eduard Kolovanov
Read the summary, download the presentation in PDF format (400 Kb) or MS Power Point 97/2000 format (897 Kb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"ACD/PhysChem"
Robert S. DeWitte
Download the presentation in PDF format (373 Kb) or MS Power Point 97/2000 format (630 Kb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"Impacting PhysChem Property Prediction and Chromatography Simulation with User Training"
Robert S. DeWitte, Michael McBrien, and Eduard Kolovanov
Read the summary.

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"New Features of ACD/Labs Naming Software"
Peter Frank
Download the presentation in PDF format (800 Kb) or MS Power Point 97/2000 format (450 Kb ZIP file).

April 2 - 4, 2001. San Diego, USA, 221st ACS National Meeting
"ACD/I-Lab Something for Everyone"
Robert S. DeWitte
Download the presentation in PDF format (298 Kb) or MS Power Point 97/2000 format (394 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"The ACD/Labs Quality Process - Bugs, Bug Tracking and Patches"
Gavin Shear
Read the summary, download the presentation in PDF format (330 Kb) or MS Power Point 97/2000 format (546 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"What's New in Version 5.0 ?"
Antony Williams
Download the presentation in PDF format (1.66 Mb) or MS Power Point 97/2000 format (3.64 Mb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"Creating SAR screening libraries using predictive tools"
Antony Williams
Download the presentation in PDF format (296 Kb) or MS Power Point 97/2000 format (319 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"Automated Structure Elucidation of Cryptolepine Derivatives"
Gary Martin and Antony Williams(ACD/Labs)
Download the presentation in PDF format (1,17 Kb) or MS Power Point 97/2000 format (1,19 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"The ABC of Metabonomics - Automated Baseline Correction"
Antony Williams and Sergey Golotvin, Eugene Vodopianov,
John Shockcor
Read the summary, download the poster in PDF format (248 Kb) or MS Word 97 format (294 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"Automated Structure Elucidation of Cryptolepine Derivatives"
Antony Williams, Sergey Molodtsov, Kirill Blinov and Eduard Martirosian, Mikhail Elyashberg, Gary Martin and Chad Hadden
Read the summary, download the poster in PDF format (594 Kb) or MS Word 97 format (384 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"J-Coupler - A Tool for Automated First Order Multiplet Analysis"
Antony Williams, Sergey Golotvin, Eugene Vodopianov
Read the summary, download the poster in PDF format (254 Kb) or MS Word 97 format (189 Kb ZIP file).

March 11 - 16, 2001. Orlando, Florida, USA, 42nd ENC
"The Application of NMR Prediction Algorithms to Developing Screening Sets for SAR by NMR"
Antony Williams and Sergey Golotvin
Read the summary, download the poster in PDF format (48 Kb) or MS Word 97 format (89 Kb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"ASAP-MS - An Automated Software-Structure Analysis Program for Mass Spectrometry"
Mike S. Lee, Antony J. Williams and Vitaly Lashin
Read the summary, download the presentation in PDF format (1.64 Mb) or MS Power Point 97/2000 format (2.6 Mb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"Automated Structure Elucidation Using a Combination of NMR, MS and IR Spectroscopy Data"
Antony Williams, Kirill Blinov and Eduard Martirosian, Mikhail Elyashberg
Read the summary, download the presentation in PDF format (1.27 Mb) or MS Power Point 97/2000 format (1.11 Mb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"Advances in Automated Structure Verification Using Infra-Red Spectroscopy"
Antony Williams, Andrey Bogomolov and Yury Zhukov
Read the summary, download the presentation in PDF format (2.14 Mb) or MS Power Point 97/2000 format (3.9 Mb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"Analysis of Combinatorial MS Data Using Automated Molecular Fragmentation Assignment"
Antony J. Williams, Vitaly Lashin, Ilya Troitskiy
Read the summary, download the presentation in PDF format (952 Kb) or MS Power Point 97/2000 format (1.11 Mb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"Intelligent Optimization of HPLC Separations Based on Chemical Structures: Benefiting from a Unified Knowledge Base"
Robert S. DeWitte, Michael McBrien, and Eduard Kolovanov
Read the summary, download the presentation in PDF format (599 Kb) or MS Power Point 97/2000 format (858 Kb ZIP file).

March 5 - 8, 2001. New Orleans, LA, USA, Pittcon 2001
"Intelligent Optimization of HPLC Separations Based on Chemical Structures: Principles and Predictions"
Robert S. DeWitte, Michael McBrien, and Eduard Kolovanov
Read the summary, download the presentation in PDF format (758 Kb) or MS Power Point 97/2000 format (1.25 Mb ZIP file).

January, 2001. Seminar at UNCW
"Speeding up the Discovery Process Applications of Prediction Software"
Antony Williams
Download the presentation in PDF format (2.41 Mb) or MS Power Point 97/2000 format (2.66 Mb ZIP file).

January 19 - 22, 2001. Sanibel Island, Florida, USA, 13th Sanibel Conference on Mass Spectrometry "Informatics and Mass Spectrometry"
"Applications of Structure-Based MS Spectrometry Analysis and Data Management to the Identification of Isoflavonoids from Trifolium pratense (Red Clover)"
Antony Williams and Vitaly Lashin, Michael P. Balogh and Kate Yu
Read the summary, download the poster in PDF format (111 Kb) or MS Word 95 format (271 Kb zip file).

Spectroscopy, 16(1): 38-49, 2001
"An Integrated Desktop Mass Spectrometry Processing and Molecular Structure Management System"
Williams, A.; Lee, M.S.; Lashin, V.
Read the summary.

January 19 - 22, 2001. Sanibel Island, Florida, USA, 13th Sanibel Conference on Mass Spectrometry "Informatics and Mass Spectrometry"
"Applying a Desktop MS Software Toolkit to Drug Metabolism Problems"
Antony Williams and Vitaly Lashin, Mike S.Lee
Download the poster in PDF format (110 Kb) or MS Word 95 format (474 Kb zip file).