The workshop took place on November 7 - 8, 2001.

View the presentations online

Agenda

  8:15            Welcome & Introduction
  8:30 - 9:00   Opening Remarks - Antony Williams, ACD

1st Session Wednesday November 7 - Morning

  9:00 -   9:40   Recent Advances in ACD/NMR Software Solutions - Antony Williams, ACD
  9:40 - 10:10   An Introduction to Metabonomics - John Shockcor, Center for Metabonomics
                      Research, Imperial College, University of London
10:00 - 10:40   Automated Structure Elucidation - Adventures in the Land of Cryptolepines
                      – Antony Williams, ACD
10:40 - 11:00   Coffee Break
11:00 - 11:30   Applications of ACD MS Software to Detection and Identification of Metabolites
                      - Antony Williams, ACD
11:30 - 12:00   ACD/UV-IR Manager and ACD/CurveManager - Antony Williams, ACD
12:00 -   1:30   Lunch

2nd Session Wednesday November 7 - Afternoon

  1:30 - 1:50   ACD/Naming: Completing the Cycle of Relating Systematic Names and Chemical
                     Structures - Antony Williams, ACD
  1:50 - 2:10   ACD Maintenance and Upgrade Policies - Ian Dugdale, ACD
  2:10 - 2:40   The Software Quality Development Process at ACD - Antony Williams, ACD
  2:40 - 3:00   Coffee Break
  3:00 - 4:00   New Developments in Enterprise Level Integrated Analytical Data Management
                     - Ian Dugdale, ACD
  4:00 - 5:30   Breakout Sessions for Spectroscopy and Global Solutions
  5:30 - 7:30   Break
  7:30 - late   Social dinner

3rd Session Thursday November 8 - Morning

  9:00 -   9:10   Introduction: Antony Williams, ACD
  9:10 -   9:40   Utilising the ACD Chromatography Applications Database to Aid in Method
                      Development - Mike McBrien, ACD
  9:40 -   9:55   Viewing Chemical Structures in Waters Millennium³² - Mike McBrien, ACD
  9:55 - 10:15   Recent Advances in LC and GC Simulation - Mike McBrien, ACD
10:15 - 10:30   Coffee Break
10:30 - 11:00   Accurate Prediction of Aqueous Solubility - Rob DeWitte, ACD
11:00 - 11:15   What's New in 5.0 – Rob DeWitte, ACD
11:15 - 12:00   Guest Speaker: The Design of Drug-Like Properties - Chris Lipinski, Pfizer
12:00 - 12:15   Integrating PhysChem Prediction into LC Simulation
                      - Rob DeWitte and Mike McBrien, ACD
12:15 -   1:15   Lunch

4th Session Thursday November 8 - Afternoon

  1:15 - 2:45   Chrom and PhysChem Breakout Sessions
  2:45 - 3:15   Coffee Break
  3:15 - 3:30   The Interactive Laboratory - Delivering ACD predictions Via A Web Architecture
                      - Robert DeWitte, ACD
  3:30 - 3:45   Third Party Integration of ACD tools - Antony Williams, ACD
  3:45 - 4:00   Departure