Graph Association Analyses for Early Drug Discovery

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Abstract

We demonstrate MedHunter, a system for assisting the early stage of drug development. MedHunter builds a biomedical knowledge graph DDKG by integrating data from eleven biochemical libraries and data banks, and aligning entities from different data sources by means of heterogeneous entity resolution. It identifies drug-disease associations and protein-protein interactions in DDKG by employing graph association rules (GARs). GARs use graph patterns to extract relevant entities and embed ML models as predicates. MedHunter discovers GARs from DDKG and incrementally enriches DDKG with external data; it cleans DDKG with a special form of GARs. We demonstrate MedHunter for its (a) interfaces, (b) data enrichment/cleaning, and (c) applications in target identification, drug-drug interaction and protein-protein interaction.