CHEMINFORMATICS

Accelrys Insight and Accelrys Insight for Excel

14 April 2014

Accelrys

Accelrys, a provider of scientific innovation lifecycle management software and solutions, has announced the latest releases of Accelrys Insight and Accelrys Insight for Excel.

The new Insight for Excel aims to enhance scientific data analysis with important capabilities including the ability to run database searches directly from the Microsoft Excel spreadsheet environment. The company claims that the release of the web-based Accelrys Insight speeds decisions by simplifying access to complex hierarchical data and implementing data-rich tooltips for scatterplots.

The two releases continue the evolution of Accelrys’ solution for interactively searching, browsing and visualising data within the Accelrys Cheminformatics suite. Both products make use of the open, scientifically aware Accelrys Enterprise Platform, which provides a single consistent way for applications to access both internal data and public data via web services.

Medicinal chemists can access corporate and public data sources directly from Excel spreadsheets and import refined search results without leaving the familiar Excel environment. Scientists engaged in pharmacokinetics research can now calculate absorption, distribution, metabolism, excretion and toxicity (ADMET) chemistry properties for chemical structures loaded into an Excel spreadsheet. The new calculators for blood-brain barrier penetration, human intestinal absorption, aqueous solubility, plasma protein binding and hepatotoxicity provide more information to make decisions about the appropriateness of compounds. Finally, new chemical-name-from-structure and structure-from-chemical-name calculators make it easier for scientists to connect associated data items.

The latest release of Accelrys Insight speeds informed decisions by providing scalable access to complex hierarchical data and improved support for data analysis and visualisation. These capabilities are provided through a set of new and enhanced Accelrys Pipeline Pilot components that protocol authors can use to simplify the processes used by scientists to access, chart and perform calculations on hierarchical data. 

The latest release of Accelrys Insight also enables the creation of data-rich tooltips that automatically display chemical properties and structures in X-Y scatterplots if molecular data are loaded in Accelrys Insight, providing ready access to rich data objects.

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