Drug-Gene Interactions in Oro-Digestive Cancer via Histone Demethylase Inhibitors
Swarnambiga Ayyachamy, Pradeep Kumar, Carlos Ardila
Introduction: Histone demethylase inhibitors (HDMIs) target histone demethylase enzymes, which play a key role in regulating gene expression. Quantum machine learning, particularly Variational Quantum Classifiers (VQCs), offers potential advantages by enabling efficient analysis of large-scale genomic data. Objectives: This study investigates the use of VQCs to predict and classify protein targets in drug-gene interactions involving HDMIs. VQCs can reveal subtle patterns, manage the complexity of genomic datasets, and deliver highly accurate predictions, surpassing the capabilities of traditional machine learning approaches. Methods: Drug-gene interactions within the HDMI signaling pathways were compiled from a dataset of 28,280 drug-gene pairs. A subset of 4,000 protein interactions was selected for quantum machine learning analysis. The Variational Quantum Classifier was employed, integrating classical and quantum components to transform the data into a higher-dimensional space, with iterative optimization of the quantum circuit. Results:The VQC achieved a classification accuracy of 97.88% in predicting drug-gene interactions. However, the model's ranking performance was moderate, possibly due to the complexity of the task or the chosen feature mapping approach. On a test dataset, the model demonstrated an accuracy of 97.68%, with 100% recall and high precision. Despite these results, a relatively low F1 score indicates potential performance discrepancies across different classes. Conclusions: The Variational Quantum Classifier shows strong potential in predicting protein targets involved in drug-gene interactions for histone demethylase inhibitors, contributing to advancements in precision medicine for Oro-digestive cancers. Nevertheless, further refinement and optimization of the model are needed to enhance its overall performance and robustness.
Acta Bioclínica•Jan 1, 2026•0 citations