Application of AI-augmented toxicology in a lab setting

ai-augmented-toxicology-workflows

As new compounds emerge faster than spectral databases can keep up, artificial intelligence (AI) enables labs to classify unknown substances based on their mass spectrometry fragmentation patterns rather than relying on exact library matches.

AI-Augmented Toxicology: Identifying Unknown NPS with 1D-CNNs

Articles

Scientist conducting research on aqueous film-forming foams

aqueous-film-forming-foams

Use NMR spectroscopy and machine learning to trace PFAS contamination from AFFF back to specific formulations and manufacturers.

Fingerprinting AFFF Sources: A Forensic Approach to PFAS Contamination

Visual depiction of large spectrum models in mass spectrometry

ai-in-mass-spectrometry

LSMs analyze raw mass spectrometry and chromatography data to improve compound identification, enable multi-omics insight, and support real-time decision-making in modern analytical laboratories.

Large Spectrum Models (LSMs): The Next Evolution of AI in Analytical Chemistry and Mass Spectrometry

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SciY

Learn how digital transformation is solving an old problem in analytical labs.

Modernizing Analytical Method Transfer&nbsp;

ARES-G3 Rheometer showcasing advanced materials testing capabilities.

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Circles representing data patterns and measurement precision of the ARES-G3 Rheometer.

ares-g3-rheometer

The new ARES-G3 Rheometer offers up to 25,000 data points per second, significantly enhancing materials characterization.

Waters Launches ARES-G3 Rheometer for Faster, High-Resolution Materials Analysis

News

Interior of Metrohm's analytical laboratory innovation center in Houston

analytical-laboratory-innovation-center

Discover how the new analytical laboratory innovation center in Houston enhances customer collaboration and drives technical advancements.

Metrohm Opens Houston Analytical Laboratory Innovation Center

Automated pipetting system for laboratory workflows

automation-strategies-reshaping-analytical-workflows

Cover of eBook on automation strategies for analytical workflows

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Separation Science

Find out how real-time spectroscopy and AI-enabled platforms are revolutionizing automation strategies in analytical labs.

Automation Strategies Reshaping Analytical Workflows in Labs

eBooks

Abstract 3D molecular structure with colored particle dispersion, representing fragmentation-first tandem MS and neutral-loss fragmentation in high-throughput reaction screening.

fragmentation-first-tandem-ms

By tracking how starting materials fragment, reactions are ranked at scale, without chromatography.

Fragmentation-First Tandem MS: Redesigning High-Throughput Reaction Screening in Drug Discovery

Workflow for designing sustainable chromatographic methods

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3D visualization of chromatographic optimization parameters

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Resolution and sustainability map for chromatographic methods

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Resolution and sustainability maps for chromatographic methods

Abstract representation of sustainable chromatographic methods

sustainable-chromatographic-methods

Explore sustainable chromatographic methods integrating green chemistry principles for a lower environmental impact.

The Chromatographer&rsquo;s Role in Driving Sustainable R&amp;D Labs

Visual metaphor for analytical workflows in chromatography

liquid-chromatography-troubleshooting

When LC results drift, noise creeps in, or methods stop behaving as expected, knowing where to look first makes all the difference.

Data Acquisition & Analysis

AI-Augmented Toxicology: Identifying Unknown NPS with 1D-CNNs

Fingerprinting AFFF Sources: A Forensic Approach to PFAS Contamination

Large Spectrum Models (LSMs): The Next Evolution of AI in Analytical Chemistry and Mass Spectrometry

Modernizing Analytical Method Transfer

Waters Launches ARES-G3 Rheometer for Faster, High-Resolution Materials Analysis

Metrohm Opens Houston Analytical Laboratory Innovation Center

Automation Strategies Reshaping Analytical Workflows in Labs

Fragmentation-First Tandem MS: Redesigning High-Throughput Reaction Screening in Drug Discovery

The Chromatographer’s Role in Driving Sustainable R&D Labs

Expert Answers: LC Troubleshooting and Best Practices—What to Check When Methods Stop Behaving