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Why Metabolon?

Machine Learning & Artificial Intelligence

Metabolon’s use of advanced artificial intelligence and machine learning technologies automates routine tasks so our in-house experts can focus their efforts on the scientific challenges that most require their expertise.

Expertly Curated Data Sets

We have spent the last 20 years building the best metabolomic competency in the world. Today, we enable, accelerate, and support drug development through biomarker discovery, understanding mechanisms of action, patient stratification, and more.

Metabolon measures biochemical changes through the study of small molecules to provide a profound understanding of biological systems. Data science enables the continuous improvement of our industry-leading capabilities, allowing us to provide a broader view beyond any other metabolomic provider.

As part of our data science initiatives, we leverage artificial intelligence and machine learning technologies to extract insight and recognize data patterns computationally. Metabolon’s machine learning capability improves our data curation throughput, identifies biochemical signatures, and detects anomalies to ensure accurate and rapid quality control. Our data science and machine learning capabilities provide improved coverage, quality, turnaround time, interpretations, and, ultimately, study success for our clients.

Machine learning’s effectiveness is strongly correlated to the accuracy, breadth, and consistency of the data on which it is trained. Long before the rise of data science, Metabolon professionals were generating expertly curated data sets, precise statistical analyses, and reports containing deep biological insights.

Expertly Curated Data Sets
Streamlined Quality Control

Streamlined Quality Control

In the lab, time is always of the essence, and attention to detail is paramount. Late-stage analysis revealing flaws in original data can invalidate days or weeks of work, de-railing timelines and production deliverables. Machine learning technologies enable us to provide clients with a compressed quality control cycle to detect failure modes much earlier than is possible with a purely manual process.

For example, with several product lines, stringent requirements are tested via statistical analysis once curation is complete. A fully manual process would require several days of work. The auto curation utility, combined with automated statistical analyses targeted at product requirements, has enabled the classification of those samples that would likely fail quality control checks days later. Back-up samples may then be immediately run, decreasing turnaround time for the client and reducing the amount of labor spent on samples doomed to fail at a downstream quality control step.

Metabolon has demonstrated the utility of machine learning approaches that provide results approximating expert-driven post-processing. Detecting failure modes instantly after initial raw data production and prompting targeted human review results in significant time savings, more rapid average product delivery, and reduced labor, which can instead focus on high-quality results rather than reruns.

Faster Data Curation

In textbook machine learning, labeling problems are solved by learning a classification model from unbiased ground truth data. In real applications, however, the matter may be significantly complicated by the practices and protocols used to produce the training data. As an example, Metabolon generates LC/MS mass spectroscopy data from which metabolites’ presence is inferred. Historically, expert curators diligently examined these data with software assistance to confirm or deny the compounds’ presence. Each sample processed on our platforms is examined for the presence or absence of every one of the 5400+ compounds in Metabolon’s metabolite reference library.

Machine learning allows us to achieve this same high-quality data, but much faster. We can bring a data set directly to quality control through machine learning, saving time by performing initial curation automatically. Machine learning also allows us to quickly determine with certainty which compounds are present and the ones that were never present, significantly reducing or even eliminating the need for human experts to make these decisions.

Built on historical data, machine learning feeds an auto curation utility that can curate many routine compounds. Consider cholesterol, which is readily found in human plasma and, therefore, not an efficient use of staff expertise to positively identify this compound. With the support of machine learning tools, we can leverage our human expert curators’ skills in delving for the presence of ethylparaben sulfate, which often presents with interfering ions, or differentiating between compounds like isoleucylglycine and alanylvaline. These compounds are not chromatographically separated but have distinct MS/MS fragmentation, usually containing a tremendous variety of information.

Faster Data Curation
Continued Knowledge Expansion

Continued Knowledge Expansion

We’re proud of our metabolite knowledgebase and industry-leading expertise, but we’re not stopping there. There is still much to be discovered in terms of new compounds and their impact on life sciences research and drug development. We’re committed to unlocking that knowledge to deliver game-changing insights. The body of literature, reports, and insights produced by Metabolon’s scientists have served as the basis for a collaboration with data science to develop a shared vocabulary, a knowledgebase, and software to support the recording of continued knowledge expansion. Artificial intelligence and machine learning technologies enable our experts to leverage our vast internal experience of highly curated pathway knowledge, disease profiles, and the world’s best metabolomic insights. Future data science collaborations with these experts will automatically surface relevant historical knowledge to expert staff on each experiment run with Metabolon.

Artificial intelligence and machine learning technologies are crucial ingredients to our clients’ success. We’re putting these technologies to work for clients every day to produce actionable insights and introduce new therapies faster.

“At Metabolon, artificial intelligence and machine learning are crucial ingredients to our client’s success. Our machine learning approaches have resulted in tremendous time savings, more rapid average product delivery, and increased accuracy for our clients.”

See how Metabolon can advance your path to preclinical and clinical insights

Why Metabolon?

Once you see the full value of metabolomics, the only remaining question is who does it best? While many laboratories have metabolite profiling or analytical chemistry capabilities, comprehensive metabolomics technologies are extremely rare. Accurate, unbiased metabolite identification across the entire metabolome introduces signal-to-noise challenges that very few labs are equipped to handle. Also, translating massive quantities of data into actionable information is slow, if not impossible, for most because proper interpretation takes two things that are in short supply: experience and a comprehensive database.

Only Metabolon has all four core metabolomics capabilities



Ability to interrogate thousands of metabolites across diverse biochemical space, revealing new insights and opportunities



Ability to integrate the data from different studies into the same dataset, in different geographies, among different patients over time



Ability to inform on proper study design, generate high‐quality data, derive biological insights, and make actionable recommendations



Ability to process hundreds of thousands of samples quickly and cost‐efficiently to service rapidly growing demand

Partner with Metabolon to access:


A library of 5,400+ known metabolites, 2,000 in human plasma, all referenced in the context of biochemical pathways

  • That’s 5x the metabolites of the closest competitor

Unparalleled depth and breadth of experience analyzing and interpreting metabolomic data to find meaningful results

  • 10,000+ projects with hundreds of clients
  • 2,000+ publications covering 500 diseases, including numerous peer-reviewed journals such as Cell, Nature and Science
  • Nearly 40 PhDs in data science, molecular biology, and biochemistry

Using our robust platform and visualization tools, our experts are uniquely able to tell you more about your molecule and develop assay panels to help you zero in on the results you need.

Contact Us

Talk with an expert

Request a quote for our services, get more information on sample types and handling procedures, request a letter of support, or submit a question about how metabolomics can advance your research.

Corporate Headquarters

617 Davis Drive, Suite 100
Morrisville, NC 27560

+1 (919) 572-1721