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March 4-8, 2018
San Diego Marriott La Jolla, San Diego, CA, USA

Related Materials

Related presentations, posters, and scientific talks from this event have been posted here for your reference. Please click the associated link to download.

An Informatics Base Approach to Impurity Data Management, B. Pautler (ACD/Labs)

Analytical Workflows in Discovery, A. Balazs (AstraZeneca)

Optimizing Your Analysis: The Many Ways NMR Predictors Can Be Applied, G. Kennedy (ACD/Labs)

What's New in 2017: 2D Mixture Analysis, Biomolecules, Unbiased Verification and more, D. Argyropoulos (ACD/Labs)

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


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