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BMC Bioinformatics ; 24(1): 276, 2023 Jul 05.
Artículo en Inglés | MEDLINE | ID: mdl-37407927

RESUMEN

BACKGROUND: In many applications of bioinformatics, data stem from distinct heterogeneous sources. One of the well-known examples is the identification of drug-target interactions (DTIs), which is of significant importance in drug discovery. In this paper, we propose a novel framework, manifold optimization based kernel preserving embedding (MOKPE), to efficiently solve the problem of modeling heterogeneous data. Our model projects heterogeneous drug and target data into a unified embedding space by preserving drug-target interactions and drug-drug, target-target similarities simultaneously. RESULTS: We performed ten replications of ten-fold cross validation on four different drug-target interaction network data sets for predicting DTIs for previously unseen drugs. The classification evaluation metrics showed better or comparable performance compared to previous similarity-based state-of-the-art methods. We also evaluated MOKPE on predicting unknown DTIs of a given network. Our implementation of the proposed algorithm in R together with the scripts that replicate the reported experiments is publicly available at https://github.com/ocbinatli/mokpe .


Asunto(s)
Algoritmos , Desarrollo de Medicamentos , Desarrollo de Medicamentos/métodos , Descubrimiento de Drogas/métodos , Biología Computacional/métodos , Interacciones Farmacológicas
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