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Impurity Profiling and Structure Elucidation via ACD/Labs

Kristof shares his experience using ACD/Labs software to elucidate and verify structures of small molecules and linker-warhead parts of antibody drug conjugates (ADCs) and to identify, isolate, and characterize impurities. He presents various workflows to demonstrate the utility and convenience of a single software interface that enables:

NMR, LC, and MS data processing
¹H, ¹³C NMR predictions
Dereplication of known structures
Automated structure verification (ASV)
Report creation and database building

Presented By

Kristóf Cank

Analytical Scientist, Sutro Biopharma

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Discover how Novartis standardizes data workflows, accelerates analysis, and enables automated NMR data processing with ASV, supporting hundreds of users and diverse samples across their open-access system.

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Increasing Accuracy in Non-Targeted Analysis: From Monitoring Data Quality to Reducing False Positives

C. Fisher (FDA)

Learn how the FDA is improving accuracy in non-targeted analysis for food safety using methods such as suspect screening and retention time predictions to reduce false positives and ensure reliable chemical identification.

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Using ACD/Labs’ ASV: Comparing compounds and using additional information and data

R. Lewis (AstraZeneca)

Learn how AstraZeneca optimizes and enhances their ASV system to efficiently and accurately identify the correct structural isomer resulting from their reactions.

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Retention Modelling: Principles, advantages and potential pitfalls to avoid

J. Field (Shimadzu)

Explores the advantages of retention modelling in chromatography, with tips for optimizing methods and using ACD/Labs' Method Selection Suite to streamline experiments and improve separation accuracy.

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Software-assisted Process for Efficient and Expedited Development of Chromatographic Methods (SPEED-CHROM)

J. Richards (Corteva Agriscience)

Find out how chromatographic method development software could help make your team more efficient and increase output through the automation workflows, appointment of dedicated analysts, and leveraging predictive modelling.

Impurity Profiling and Structure Elucidation via ACD/Labs

Presented By

Kristóf Cank

Other Resources

Enhancing Structure Verification at Novartis: Our Workflow and Automated Structure Verification (ASV) in Action

Increasing Accuracy in Non-Targeted Analysis: From Monitoring Data Quality to Reducing False Positives

Using ACD/Labs’ ASV: Comparing compounds and using additional information and data

Retention Modelling: Principles, advantages and potential pitfalls to avoid

Software-assisted Process for Efficient and Expedited Development of Chromatographic Methods (SPEED-CHROM)

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