NMR Spectroscopy

AI and Large Language Models for NMR Spectral Analysis and Structure Elucidation

AI and Large Language Models for NMR Spectral Analysis and Structure Elucidation

The topic of our round-table workshop on Thursday September 24, 2026 was AI and Large Language Models for NMR Spectral Artificial intelligence and large language models are developing rapidly and are increasingly being applied to chemistry-related problems, including NMR spectral prediction, interpretation, and structure elucidation. This workshop will examine the[…]

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Automated Structure Verification: Balancing Speed and Accuracy in NMR Analysis

Automated Structure Verification: Balancing Speed and Accuracy in NMR Analysis

The topic of our round-table workshop on February 26, 2026, was Automated Structure Verification: Balancing Speed and Accuracy in NMR Analysis. Advances in NMR instruments and methods now let scientists collect large amounts of 1D and 2D data very quickly. This leaves processing and interpreting that data as the bottleneck[…]

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Suppress or not to Suppress - CRAFT it!

Suppress or not to suppress?!… – CRAFT it !

The topic of our round-table workshop on February 27, 2025, at 4:00 PM ET USA was Suppress or not to Suppress?!… – CRAFT it ! – Extracting essential biomarker signals directly from the full 1H NMR spectrum of existing serum samples. The panel introduced a very efficient and powerful software[…]

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Mnova for the Masses

MNova for the Masses

The topic of our February round-table workshop February 22, 2024 @ 12:00 PM ET USA was an introduction Mnova Software by Mestrelab. Mnova is a multivendor software suite designed for combined NMR, LC/GC/MS and Electronic & Vibrational Spectroscopic techniques. In addition, Mnova can run many additional advanced modules such as[…]

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NMR in the World of Fragmented Drug Design

NMR in the World of Fragment Based Drug Design – through both the Ligand and Protein observe lenses

On October 26, 2023 the IVAN Users Group hosted a meeting on NMR in the World of Fragmented Drug Design. The panel was lead by Daneen Angwin-Kaerner of Loxo@Lilly, and presentations were done by Andrew Namanja of Abbvie Inc. and Ben Davis of Vernalis Research. NMR has evolved into a[…]

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NUS on Solid Ground

NUS on Solid Ground

The topic of our June round-table workshop was a discussion of Non-Uniform Sampling (NUS). The adoption of NUS in both routine and specialized applications is enjoying continued growth and, in this workshop, NUS will be seen to be a mature, flexible and powerful tool ready for today’s challenging NMR problems,[…]

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Anisotropic Interactions in NMR (RQCs, RDCs, RCSAS) and their application to the analysis of small molecules

Anisotropic Interactions in NMR (RQCs, RDCs, RCSAS) and their application to the analysis of small molecules

The topic of our March round-table workshop (Thursday March 30, 2023 @ 12:00 PM ET USA) was a discussion of Anisotropic Interactions in NMR (RQCs, RDCs, RCSAS) and their application to the analysis of small molecules. Roberto Gil of Carnegie Mellon University lead the panel that includes Han Sun -Leibniz[…]

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FT and TD-NMR are Complementary for Metabolomics

FT and TD-NMR are Complementary for Metabolomics

The topic of our January round-table workshop (Thursday January 26, 2023 @ 12:00 PM ET USA) was a discussion of FT and TD-NMR are Complementary for Metabolomics. Istvan Pelczer, Princeton University, lead the panel that includes Dave Cistola, Texas Tech University Health Sciences and AaryaniSajja, University of Memphis. Time-domain NMR[…]

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Industrial Applications of Benchtop NMR (Part 2)

Our November round-table workshop (Thursday November 10, 2022 @ 12:00 PM ET USA) was a discussion of Industrial Applications of Benchtop NMR. This is Part 2 of this 2-part series. Analytical chemists have long used NMR as part of a greater technical toolbox to solve problems. With the introduction of[…]

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NMR Supersequences for Small Molecule Characterization

The topic of our October round-table workshop (Thursday October 27, 2022 @ 11:00 AM ET USA) was a discussion of NMR Super-sequences for Small Molecule Characterization. Tim Claridge, Department of Chemistry, University of Oxford, UK, lead the panel that included Eriks Kupce, Bruker UK Ltd, Jonathan Yong, Department of Chemistry,[…]

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