openphacts-vis-compoundinfo

openphacts-vis-compoundinfo displays comprehensive compound information from the Open PHACTS Linked Data cache to integrate pharmacological data for analysis of small molecules and their targets.

Key Features:

• Centralized Data Access: Integrates data from multiple pharmacological sources into the Open PHACTS Linked Data cache.
• Interactive Visualization: Visualizes and navigates chem-bio space using the ChemBioNavigator (CBN) web application focused on small molecules and targets.
• Enhanced Exploration: Supports interactive exploration of compound sets via sorting, subset selection, and extension by substructure or similarity search.
• Data Annotation and Provenance: Annotates each compound and target with source information and provenance for individual data points.
• Assay Data Integration: Defines relationships between compounds and targets by integrating assay data from the Open PHACTS Discovery Platform.

Scientific Applications:

• Pharmacological Data Integration: Unifies heterogeneous pharmacological data to support compound-centric analyses.
• Chem-bio Space Exploration: Enables analysis and navigation of small molecule–target relationships using CBN and similarity/substructure methods.
• Compound–Target Relationship Characterization: Uses integrated assay data and provenance annotations to establish evidence-backed links between compounds and targets.

Methodology:

Retrieves data from the Open PHACTS Linked Data cache, annotates compounds and targets with provenance, visualizes chem-bio space using the ChemBioNavigator (CBN) web application, supports sorting, subset selection and extension by substructure or similarity search, and integrates assay data from the Open PHACTS Discovery Platform to define compound–target relationships.