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ACD/Labs NMR Software Symposium

Sunday, March 4th, 2:30–5:00 PM

Join us in San Diego for our NMR Software Symposium. Topics include:

  • Recognizing and removing bias from your automated structure assignments
  • Easy handling of NMR spectra of biomolecules
  • Unique approaches to mixture analysis using 1D and 2D spectra
  • The most efficient dereplication workflow using millions of known structures from PubChem and ChemSpider

Agenda

Time Presentation
2:30–2:40 Introductions and Welcome
Dimitris Argyropoulos (ACD/Labs)
2:40–3:00 Innovation at ACD/Labs—Core Capabilities, Applications, and Services across the R&D Life cycle
Andrew Anderson
3:00–3:20 An Informatics Based Approach to Impurity Data Management
Brent Pautler (ACD/Labs)
3:20–3:40 Analytical Workflows in Discovery
Amber Balazs (AstraZeneca)
3:40–4:10 What's new in v. 2017: 2D mixture analysis, Biomolecules, Unbiased Verification, and more
Dimitris Argyropoulos (ACD/Labs)
4:10–4:30 TBA
4:30–4:50 Workshop: The Features of v.2017 in Action
Brent Pautler and Dimitris Argyropoulos (ACD/Labs)
4:50–5:00 Closing Remarks
ACD/Labs Staff

Poster Schedule

Generating Unbiased Structural Alternatives for Automated Structure Verification
Sergey Golotvin, Rostislav Pol, Mikhail Elyashberg, Dimitris Argyropoulos, and Karim Kassam

A Unifying, Informatics-Based Approach to Life Cycle Management of Impurity Data in Pharmaceutical Development
Albert Van Wyk, Brent G. Pautler, Andrew Anderson, Petr Kandalov, Dmitry Mityushev, and Joe DiMartino