Predicting Multi-Type Drug-Drug Interactions Using a Disease-Specific Knowledge Graph

Drug-drug interactions are a major cause of mortality during hospitalization, causing toxicities and unexpected side effects. This work utilizes a knowledge graph derived from biomedical literature and open databases, to predict different classes of drug-drug interactions. To this end, a path analysisbased machine learning approach is compared with various graph embedding techniques in a lung cancer use case. The experiments aim at analysing different type of interactions from a public database, to define five general classes. Focusing on under-represented classes of interactions, in order to boost their predictive performance via different configurations, the path analysis-based approach achieves better performance results, allowing for their subsequent interpretation using the most important features of each path.

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Published
2025-06-18
DOI
https://doi.org/10.1109/cbms65348.2025.00157
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

Predicting Multi-Type Drug-Drug Interactions Using a Disease-Specific Knowledge Graph

Anastasia Krithara, Konstantinos Bougiatiotis, Fotis Aisopos, Marios Vottas
Computational Drug Discovery Methods
article

Predicting Multi-Type Drug-Drug Interactions Using a Disease-Specific Knowledge Graph

Anastasia Krithara, Konstantinos Bougiatiotis, Fotis Aisopos, Marios Vottas
article en

Abstract

Drug-drug interactions are a major cause of mortality during hospitalization, causing toxicities and unexpected side effects. This work utilizes a knowledge graph derived from biomedical literature and open databases, to predict different classes of drug-drug interactions. To this end, a path analysisbased machine learning approach is compared with various graph embedding techniques in a lung cancer use case. The experiments aim at analysing different type of interactions from a public database, to define five general classes. Focusing on under-represented classes of interactions, in order to boost their predictive performance via different configurations, the path analysis-based approach achieves better performance results, allowing for their subsequent interpretation using the most important features of each path.

National Centre of Scientific Research "Demokritos" (GR), Institute of Informatics & Telecommunications
Openalex Percentile: Top 82%
Computational Drug Discovery Methods
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Predicting Multi-Type Drug-Drug Interactions Using a Disease-Specific Knowledge Graph — Anastasia Krithara, Konstantinos Bougiatiotis, et al. · (2025) | TGRS Research Map | TGRS