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Machine Learning Framework for Ovarian Cancer Diagnostics Using Plasma Lipidomics and Metabolomics
Alisa Tokareva1, Mariia Iurova1, Natalia Starodubtseva1
1V.I. Kulakov National Medical Research Center for Obstetrics, Gynecology and Perinatology, Ministry of Healthcare of Russian Federation, 117997 Moscow, Russia.
International Journal of Molecular Sciences
|July 29, 2025
Summary
Machine learning models analyzing plasma metabolites show promise for early ovarian cancer (OC) detection. This multi-omics approach accurately differentiates OC from benign conditions and controls.
Area of Science:
- Gynecologic Oncology
- Metabolomics
- Machine Learning
Background:
- Ovarian cancer (OC) is a leading gynecologic malignancy with distinct metabolic alterations.
- Liquid biopsy offers potential for early OC detection through metabolic profiling.
Purpose of the Study:
- To develop and validate a machine learning pipeline for OC detection using plasma metabolomics data.
- To identify optimal biomarker combinations and machine learning models for distinguishing OC from benign and control samples.
Main Methods:
- Integrated lipidomics (HPLC-MS) and NMR-based metabolomics on plasma samples from 229 subjects (103 OC patients, 107 benign, 19 controls).
- Systematic evaluation of feature selection methods (Mann-Whitney, Kruskal-Wallis, SVM-RFE) and machine learning architectures (CNN, XGBoost).
Main Results:
- A CNN model achieved 81% accuracy in distinguishing OC from benign cases.
- XGBoost with SVM-RFE achieved 96% accuracy differentiating benign from control samples.
- Multiclass classification yielded up to 78% accuracy using one-versus-one CNN models.
Conclusions:
- Machine learning, particularly deep learning and ensemble methods, shows significant potential for tailored OC diagnostic applications.
- The study provides a methodological framework for multi-omics biomarker discovery in gynecologic oncology.
- Findings offer biological insights into OC pathophysiology, supporting integrated approaches.

