CHEMINFORMATICS

Vortex

5 October 2012

Dotmatics

Dotmatics Limited, which provides informatics services to the pharmaceutical and biotechnology industries, has released the latest version of Vortex, its data analysis and visualisation tool, designed for scientists working in chemistry, biology and engineering.

Vortex provides researchers with the ability to load datasets with millions of datapoints, create high quality graphs, and produce visualisations ready for presentation or publication. In addition, Vortex can consume data from Browser, Dotmatics’ flexible data query and federation platform.

The new release of Vortex integrates OpenAstexViewer and will enable scientists to directly visualise chemical structures and ligand complexes in 3D and 2D. Researchers can now explore their data using surface and contour plotting techniques. In addition, a new function for data aggregation has proved invaluable in spotting plate irregularities in screening campaigns. Vortex’s comprehensive and easy to use set of plots and calculations can be augmented via Python scripting. A new internal webserver allows many external applications (such as MOE or PyMol) to interact directly with Vortex.

Dotmatics deploys web-based knowledge solutions that improve the way scientific data is queried, managed and shared within companies. Dotmatics has significant expertise in cheminformatics and bioinformatics techniques including chemical databases, SAR analysis, data management and data visualisation. Dotmatics was founded in 2005 and has its head office based south of Cambridge, UK.

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