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Conference

ENC

ENC 2021 is going virtual and we look forward to seeing you online! Visit our featured vendor page at ENC, and check out our posters, to get information on how our variety of NMR tools can help you.

ACD/Labs NMR Software Symposium

Our NMR Software Symposium was held on Wednesday, March 31st. Our presentation schedule featured talks from ACD/Labs’ staff and customers from Amgen and PPG.

Streamlining Structure Corroboration Using ACD/Labs Software
Robert Marti, PPG

High-Throughput NMR Workflow at Amgen
Tatiana Didenko, Amgen

The Next Level of NMR Software by ACD/Labs
Dimitris Argyropoulos, ACD/Labs

Poster Schedule

Evaluation of the Benefit and Informing Capability of 2D NMR Experiments for Structure Elucidation Using CASE Software

Wednesday, March 31st

8:00–9:30 AM EDT

Dimitris Argyropoulos

Mikhail Elyashberg

Computer Assisted Structure Elucidation (CASE) has made a huge progress since it was first introduced, and is now considered a reference tool for solving very complex structures. However, there is always the question on what type of 2D experiments should be recorded in order to efficiently solve the problem at hand. In this poster we will examine the effect of various 2D spectra on the elucidation time, illustrated by three different examples: a very simple structure, a complex natural product and finally a proton deficient structure considered to be solved using only an INADEQUATE spectrum.

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Exploring Modern Technologies for NMR Processing Software

Wednesday, March 31st

11:00 AM–12:30 PM EDT

Yalda Liaghati Mobarhan

Dimitris Argyropoulos

Rostislav Pol

Eugene Vodopyanov

Sergey Golotvin

Vladimir Mikhalenko

NMR data is somewhat different from other forms of analytical data, in that datasets are comparably larger and contain useful information throughout the acquired FIDs. Historically a variety of programming languages have been used for NMR software to process data. However, there is rarely a single programming language used exclusively, and most comprehensive NMR software applications use compiled modules written in a variety of languages. In this poster, we examine modern technologies for NMR software development with their advantages and drawbacks for both the programmer and the end user, using specific examples from various implementations.

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