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arXiv · 1807.09754

Data Infrastructure and Approaches for Ontology-Based Drug Repurposing

Stephen Boyer·Thomas Griffin·Sarath Swaminathan·Kenneth L. Clarkson·Dmitry Zubarev
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Abstract

We report development of a data infrastructure for drug repurposing that takes advantage of two currently available chemical ontologies. The data infrastructure includes a database of compound- target associations augmented with molecular ontological labels. It also contains two computational tools for prediction of new associations. We describe two drug-repurposing systems: one, Nascent Ontological Information Retrieval for Drug Repurposing (NOIR-DR), based on an information retrieval strategy, and another, based on non-negative matrix factorization together with compound similarity, that was inspired by recommender systems. We report the performance of both tools on a drug-repurposing task.

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Stephen Boyer, Thomas Griffin, Sarath Swaminathan, Kenneth L. Clarkson, Dmitry Zubarev. 2018-07-12. Data Infrastructure and Approaches for Ontology-Based Drug Repurposing. https://arxiv.org/abs/1807.09754

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