# Machine Learning based Model Reveals the Metabolites Involved in Coronary Artery Disease

**Authors:** Fathima Lamya, Muhammad Arif, Mahbuba Rahman, Abdul Rehman Zar Gul, Tanvir Alam

PMC · DOI: 10.1177/11795972251352014 · Biomedical Engineering and Computational Biology · 2025-07-08

## TL;DR

A machine learning model identifies metabolites linked to coronary artery disease in the Qatari population, aiding early detection and personalized treatment.

## Contribution

A novel machine learning model for identifying CAD-related metabolites in the Qatari population with high accuracy.

## Key findings

- An artificial neural network achieved 91.67% accuracy in identifying CAD-related metabolites.
- 173 metabolites were significantly associated with CAD, with 95 being higher in CAD patients.
- Specific metabolites like 2-hydroxyhippurate and salicylate were notably elevated in CAD patients.

## Abstract

Coronary artery disease (CAD) is a major global cause of morbidity and mortality. Therefore, advances in early identification and individualized treatment plans are crucial.

This article presents machine learning (ML) based model that can recognize metabolomic compounds associated with CAD in the Qatari population for the early detection of CAD. We also identified statistically significant metabolic profiles and potential biomarkers using ML methods.

Among all ML models, artificial neural network (ANN) outstands all with an accuracy of 91.67%, recall of 80.0%, and specificity of 100%. The results show that 173 metabolites (P < .05) are significantly associated with CAD. Of these metabolites, the majority (95/173, 54.91%) were high in CAD patients, while 45.09% (78/173) were high in the control group. Two metabolites 2-hydroxyhippurate (salicylurate) and salicylate were notably higher in CAD patients compared to the control group. Conversely, 4 metabolites, cholate, 3-hydroxybutyrate (BHBA), 4-allyl catechol sulfate, and indolepropionate, showed relatively higher level in the control group.

We believe our study will support in advancing personalized diagnosis plan for CAD patients by considering the metabolites involved in CAD.

## Linked entities

- **Chemicals:** 2-hydroxyhippurate (PubChem CID 10253), salicylurate (PubChem CID 10253), salicylate (PubChem CID 54675850), cholate (PubChem CID 5460314), 3-hydroxybutyrate (PubChem CID 92135), 4-allyl catechol sulfate (PubChem CID 155730939), indolepropionate (PubChem CID 3292996)
- **Diseases:** coronary artery disease (MONDO:0005010)

## Full-text entities

- **Diseases:** CAD (MESH:D003324)
- **Chemicals:** salicylate (MESH:D012459), cholate (MESH:D020355), indolepropionate (MESH:C015292), salicylurate (MESH:C000693), 3-hydroxybutyrate (MESH:D020155), 2-hydroxyhippurate (-)
- **Species:** Homo sapiens (human, species) [taxon 9606]

## Full text

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## Figures

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## References

94 references — full list in the complete paper: https://tomesphere.com/paper/PMC12246536/full.md

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Source: https://tomesphere.com/paper/PMC12246536