VRTK

VRTK provides visualization and exploration of high-dimensional chemical fingerprint spaces from Drugbank to support cheminformatics analyses.

Key Features:

• Interactive Visualization: Supports creation of interactive 2D and 3D maps for navigation and exploration of extensive chemical spaces.
• Integration with Unity Engine: Integrates with the Unity engine to render interactive visualizations within a 3D environment.
• Extension of Existing Pipelines: Builds upon established methodologies for visualizing chemical fingerprints by adapting those pipelines into VR-capable representations.
• Dimensionality Embedding: Embeds high-dimensional chemical fingerprint spaces into 2D or 3D projections for visual analysis.

Scientific Applications:

• Cheminformatics: Enables exploration and analysis of compounds cataloged in Drugbank to identify patterns and relationships in chemical space.
• Drug discovery research: Supports visual identification of potential areas for drug discovery through analysis of chemical fingerprint distributions.

Methodology:

Embeds high-dimensional chemical fingerprint spaces into 2D or 3D projections and extends existing chemical fingerprint visualization pipelines into Unity-based VR visualizations.