CPIExtract: A software package to collect and harmonize small molecule and protein interactions.

ABSTRACT: The binding interactions between small molecules and proteins are the basis of cellular functions. Yet, experimental data available regarding compound-protein interaction is not harmonized into a single entity but rather scattered across multiple institutions, each maintaining databases with different formats. Extracting information from these multiple sources remains challenging due to data heterogeneity. Here, we present CPIExtract (Compound-Protein Interaction Extract), a tool to interactively extract experimental binding interaction data from multiple databases, perform filtering, and harmonize the resulting information, thus providing a gain of compound-protein interaction data. When compared to a single source, DrugBank, we show that it can collect more than 10 times the amount of an

SUBMITTER: Piras A 

PROVIDER: S-EPMC11245042 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature