December, 2000. NMR Newsletter
"Automated First-Order Multiplet Analysis"
Antony Williams, Eugene Vodopianov, Sergey Golotvin
Download the article in PDF format (56 Kb) or MS Word 97 format (65 Kb zip file).

December, 2000. NMR Newsletter
"Advances in Baseline Correction Applications to Metabonomics Data"
Antony Williams, Eugene Vodopianov, and Sergey Golotvin, John Shockcor
Download the article in PDF format (66 Kb) or MS Word 97 format (97 Kb zip file).

October 29 - November 3, 2000. Atlantic City, NJ, USA, 39th Eastern Analytical Symposium & Exposition (EAS)
"High Throughput Screening Software Tools for Analytical Spectroscopy"
Antony Williams, Sergey Golotvin, Vitaly Lashin and Sergey Bakulin
Read the summary.

October 29 - November 3, 2000. Atlantic City, NJ, USA, 39th Eastern Analytical Symposium & Exposition (EAS)
"A Chromatography Data System with Integrated Molecular Structure Management"
Antony Williams, Eduard Kolovanov and Mike McBrien
Read the summary.

October 29 - November 3, 2000. Atlantic City, NJ, USA, 39th annual Eastern Analytical Symposium & Exposition (EAS)
"A Comprehensive Method Development and Management System Incorporating Chemical Structures"
Michael McBrien, Eduard Kolovanov, and Antony Williams
Download the presentation in PDF format (0.98 Mb) or MS Power Point 97/2000 format (973 Kb ZIP file).

October 29 - November 3, 2000. Atlantic City, NJ, USA, 39th annual Eastern Analytical Symposium & Exposition (EAS)
"A Molecular Structure Based System for LC Simulation"
Michael McBrien, Antony Williams and Eduard Kolovanov
Read the summary, download the presentation in PDF format (1.15 Mb) or MS Power Point 97/2000 format (899 Kb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Systematic Naming and Quality"
Antony Williams
Download the presentation in PDF format (1.64 Mb) or MS Power Point 97/2000 format (1.38 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Chromatography, Spectroscopy and Finally... Analytical Curve Management"
Antony Williams
Download the presentation in PDF format (1.5 Mb) or MS Power Point 97/2000 format (1.62 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"An Integrated Spectroscopy Software System: Processing, Prediction, Databases, Spectral Management and Automated Structure Elucidation"
Antony Williams
Download the presentation in PDF format (2.16 Mb) or MS Power Point 97/2000 format (2.37 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Automated Structure Elucidation Software: "Can We Get There From Here?"
Antony Williams
Download the presentation in PDF format (2.5 Mb) or MS Power Point 97/2000 format (2.84 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Chemical Structure Integration Tools and Spectral Databasing for Mass Spectrometry"
Antony Williams
Download the presentation in PDF format (854 Kb) or MS Power Point 97/2000 format (3.97 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Solutions for Integrated Structure Handling for Vibrational and Electronic Spectroscopy"
Antony Williams
Download the presentation in PDF format (2.93 Mb) or MS Power Point 97/2000 format (3.06 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Better (Combinatorial) Screening through PhysChem"
Robert S. DeWitte
Download the presentation in PDF format (263 Kb) or MS Power Point 97/2000 format (539 Kb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"The Value of PhysChem Prediction in Drug Discovery. The Accuracy Alliance"
Robert S. DeWitte
Download the presentation in PDF format (293 Kb) or MS Power Point 97/2000 format (205 Kb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"Advances in LC and GC Simulation"
Michael McBrien
Download the presentation in PDF format (1.24 Mb) or MS Power Point 97/2000 format (897 Kb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"An Overview of Capabilities in Chromatography Management"
Michael McBrien
Download the presentation in PDF format (2.02 Mb) or MS Power Point 97/2000 format (1.06 Mb ZIP file).

11 - 12 October, 2000. France, 1st ACD European Users Meeting
"A Vision of an Integrated Analytical Laboratory Information Management System"
Val Kulkov, Dmitry Mityushev, Alexei Aminov, Vladimir Shilay, Valery Tkachenko
Download the presentation in PDF format (192 Kb) or MS Power Point 97/2000 format (398 Kb ZIP file).

26 - 28 September, 2000. Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis - 2000 "Techniques and Trends for High Throughput Analysis"
"Spectroscopy Management and Prediction Tools for the Screening of Combinatorial Library Analytical Data"
Antony Williams
Read the summary, download the presentation in PDF format (2.57 Mb) or MS Power Point 97/2000 format (2.09 Mb ZIP file).

26 - 28 September, 2000. Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis - 2000 "Techniques and Trends for High Throughput Analysis"
"Analytical Data Management"
Antony Williams
Download the presentation in PDF format (857 Kb) or MS Power Point 97/2000 format (1.61 MB ZIP file).

26 - 28 September, 2000. Princeton, NJ, USA, Chemical and Pharmaceutical Structure Analysis - 2000 "Techniques and Trends for High Throughput Analysis"
"A Molecular Structure Based Software System for LC Simulation"
Mike McBrien, Eduard Kolovanov, Antony Williams
Download the poster in PDF format (120 Kb).

September, 2000. New Jersey, USA, The Micromass Users Meeting
"Chemical Structure Integration Tools for Metabolite Identification and Spectral Databasing"
Antony Williams
Download the presentation in PDF format (4.02 Mb) or MS Power Point 97/2000 format (2.99 Mb ZIP file).

September, 2000. The GDCh, "Blaue Blätter" magazine, Germany
"Massenspektren und Strukturen: Schnelle Hilfe gegen Kopfzerbrechen!"
Antony Williams, Vitaly Lashin, Matthias Weisser
Download the German language article in PDF format (29.7 Kb) or MS Word 97 format (83.4 Kb zip file).

Current Opinion in Drug Discovery & Development. 2000; 3: 298-305
"Recent Advances in NMR Prediction and Automated Structure Elucidation Software"
Antony Williams
Read the abstract.

27 August - 1st September, 2000. Barcelona, Spain, 15th International Mass Spectrometry Conference
"An Integrated Software System for Spectral Management for NMR, MS, IR and UV-Vis and Chemical Structures"
Antony Williams and Vitaly Lashin
Read the summary.

27 August - 1st September, 2000. Barcelona, Spain, 15th International Mass Spectrometry Conference
"A PC-Based Desktop Software Suite for MS Processing and Databasing with Integrated Chemical Structures"
Antony Williams
Download the presentation in PDF format (3.32 Mb) or MS Power Point 97/2000 format (3.72 Mb ZIP file).

27 August - 1st September, 2000. Duesseldorf, Germany, 13th European Symposium on Quantitative Structure-Activity Relationships
"Comparison of Neural Net and Combined Fragmental Methods: UltraLogP vs. ACD/LogP"
Alanas Petrauskas, Eduard Kolovanov
Read the summary, download the poster in PDF format (72.7 Kb) or ChemSketch format (130 Kb).

27 August - 1st September, 2000. Duesseldorf, Germany, 13th European Symposium on Quantitative Structure-Activity Relationships
"Calculation of H-bonding Parameters by Hammett-Hansch Method"
A. Petrauskas, P. Japertas, L. Riauba
Read the summary, download the poster in PDF format (215 Kb) or ChemSketch format (798 Kb).

27 August - 1st September, 2000. Duesseldorf, Germany, 13th European Symposium on Quantitative Structure-Activity Relationships
"Fragment-based QSAR Method for High-throughput Calculations"
Alanas Petrauskas, Remigijus Didziapetris
Read the summary, download the poster in PDF format (63.8 Kb) or ChemSketch format (110 Kb).

July 16th - 19th, 2000. Argonne National Laboratory, Chicago, Illinois, USA, Small Molecule NMR Conference
"Recent Advances in the Use of NMR Prediction and Automated Structure Elucidation Software for Natural Product Characterization"
Antony Williams
Download the presentation in PDF format (2.8 Mb) or MS Power Point 97/2000 format (3.06 Mb ZIP file).

June 24-30, 2000. Seattle, Washington, USA, 24th International Symposium on High Performance Liquid Phase Separations and Related Techniques "HPLC - 2000"
"A Chromatography Data System with Integrated Molecular Structure Management"
Michael McBrien, Antony Williams, Eduard Kolovanov, Vadim Tashlitsky
Read the summary, download the poster in PDF format (920 Kb)

June 19-21, 2000. Philadelphia, PA Pennsylvania, USA, High-Throughput Technologies Summit & Exposition
"Spectroscopy Management for Screening of Combinatorial Libraries"
Michael McBrien
Read the summary, download the presentation in PDF format (982 Kb) or MS Power Point 97/2000 format (1.0 Mb ZIP file).

June 16, 2000. The University of Western Ontario
"ACD Tools for Educators: Processing, Predicting, Searching, Databasing, Reporting & On-Line Features"
Robin Martin
Download the presentation in PDF format (1.24 Mb) or MS Power Point 97/2000 format (1.27 Mb zip file).

May 2000. London, UK, NMR in the Drug Discovery Pipeline
"Automated Structure Verification for High-Throughput NMR Datasets"
Antony Williams
Read the summary, download the presentation in PDF format (0.98 Mb) or MS Power Point 97/2000 format (1.0 Mb zip file).

April 2000. ENC 2000, Monterey, California
"Recent Developments in Chemical Shift Prediction and Automated Elucidation"
Antony Williams, Mikhail Elyashberg, Kirill Blinov and Eduard Martirosian
Read the summary, download the presentation in PDF format (339 Kb) or RTF format (562 Kb zip file).

April 2000. ENC 2000, Monterey, California
"NMR Prediction Software and Tubeless NMR - an Analytical Tool for Screening of Combinatorial Libraries"
Antony Williams, Sergey Golotvin and Sergey Bakulin
Read the summary, download the presentation in PDF format (403 Kb) or MS Word 95 format (295 Kb zip file).

April 2000. ACD/Labs Users Meeting at the ENC 2000
"ACD/ENC 1st Users Meeting"
"Improving NMR predictions using online Patch files..."
"New Features in Version 4.5"
"Collaborators in NMR"
Read the articles in PDF format (above) or MS Power Point 97/2000 format (924 Kb zip file).

April 11-14, 2000. 13th International Millennium Users Forum, Montreux, Switzerland
"The Value of Chemical Structures in Chromatography Software"
Michael McBrien, Antony Williams and Eduard Kolovanov
Read the summary, download the presentation in PDF format (3.28 Mb) or MS Power Point 97/2000 format (1.83 Mb zip file).

March 26 - 30, 2000. San Francisco, CA, USA, 219th ACS Spring Conference
"Tools for Teaching Spectroscopy and Naming"
Scott MacDonald
Read the summary, download the presentation in PDF format (2318 Kb) or MS Power Point 97/2000 format (2058 Kb zip file).

March 26 - 30, 2000. San Francisco, 219th ACS Spring Conference
"A Mass Spectroscopy Data System with Integrated Structure Management"
Kevin Turnbull
Read the summary, download the presentation in PDF format (789 Kb) or MS Power Point 97/2000 format (1165 Kb zip file).

March 2000. 219th ACS Spring Conference, San Francisco
"Systematic naming technology"
Carlton G. Squires
Read the summary, download the presentation in PDF format (1139 Kb) or MS Power Point 97/2000 format (653 Kb zip file).

March 2000
" A Rebuttal Regarding Recent Comparisons of SciLogP Ultra (Scivision Inc) with ACD/LogP Prediction Software. "
Antony Williams and Eduard Kolovanov
Read the article in PDF format (946 Kb) or MS Word 97 format (2097 Kb zip file).

March 12 - 17, 2000. New Orleans, Louisiana, 50th Pittsburgh Conference "Science for the 21st Century"
" A Chromatography Data System with Integrated Molecular Structure Management "
Michael McBrien, Antony Williams, and Eduard Kolovanov
Read the summary, download the presentation in PDF format (1539 Kb) or MS Power Point 97/2000 format (838 Kb zip file).

March 12 - 17, 2000. New Orleans, Louisiana, 50th Pittsburgh Conference "Science for the 21st Century"
" An Integrated Software System for Spectral Management for NMR, MS, IR and UV-Vis and Chemical Structures "
Antony Williams, Dmitry Mityushev, Vladimir Shilay, Mikhail Kvasha
Read the summary, download the presentation in PDF format (1040 Kb) or MS Power Point 97/2000 format (1480 Kb zip file).

March 5 - 9, 2000. Lausanne, Switzerland
LogP 2000 - The second LogP Symposium
" Correlation of Inhibition Constants for HIV-1 Protease and Viral Replication "
Alanas Petrauskas, Remigijus Didziapetris
Read the summary or download the poster in PDF format (82 Kb).

March 5 - 9, 2000. Lausanne, Switzerland
LogP 2000 - The second LogP Symposium
" Limitations of Fragmental Methods and ACD/LogP Training Feature "
Alanas Petrauskas and Eduard Kolovanov
Read the summary or download the poster in PDF format (52 Kb).

March 5 - 9, 2000. Lausanne, Switzerland
LogP 2000 - The second LogP Symposium
" ACD Approaches for Phys-Chem Data Prediction "
Alanas Petrauskas and Eduard Kolovanov
Read the summary or download the poster in PDF format (98 Kb).

February, 2000. The GIT magazine, Germany, Austria and Switzerland
"ACD/ChromManager : Ein Chromatographie-Daten-System mit integriertem Molekulstruktur-Management"
Antony Williams, Edik Kolovanov and Heinz Hofmann
(German language publication)
Download the article in PDF format (154 Kb) or MS Word 97 format (67 Kb zip file).

February 2000. NMR Newsletter
"Offline Processing of Bruker Digitally Filtered NMR Data"
Sergey Golotvin and Antony Williams
Read the summary or full article, or download it in RTF format (203 Kb ZIP file).