Blueprint for Scientific Visualization and Cheminformatics Analysis for Small Molecule Project Data
14 10 20 - Filed in: data analysis drug discovery
Dotmatics have just announced the release of Blueprint a web-based visualization and scientific analytics application designed to help scientists working on small molecule discovery projects.
Those at the last Dotmatics user group meeting saw an early demo of this platform, a web-based, interactive, data visualisation and analysis system with chemical intelligence and now it has been released.
- Load datasets from Browser or from files (SD, SMILES)
- Visualize structures in interactive tables, grids, matrices
- Visualize data as scatter plots, bar charts, line charts or pie charts
- Calculate molecular properties, ligand profiles, ligand efficiencies
- Refine datasets by filtering on structure and/or properties
- Perform R-group and matched molecular pairs analysis
- Generate program metrics
- Share workspaces, datasets and analyses
- Send selections to Browser, Vortex
- Export results to files
I'm sure we will hear more at the Dotmatics UGM.
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