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Searching by chemical structures into a SharePoint environment

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Authors of this article have assembled different features to allow a user to search by chemical structures or reactions into the company content managed by SharePoint.

The use of SharePoint® collaboration software for content management has become a critical part of today’s drug discovery process. SharePoint 2010 software has laid a foundation which enables researchers to collaborate and search on various contents.

The amount of data generated during a transition of a single compound from preclinical discovery to commercialization can easily range in terabytes, thus there is a greater demand of a chemically aware search algorithm that supplements SharePoint which enables researchers to query for information in a more intuitive and effective way.

Thus by supplementing SharePoint with Chemically Aware™ features provides a great value to the pharmaceutical and biotech companies and makes drug discovery more efficient. Using several tools we have integrated SharePoint with chemical, compound, and reaction databases, thereby improving the traditional search engine capability and enhancing the user experience. (…)

CASP uses SharePoint software to run most of its processes, but to get the chemically rich features it uses tools like Accelrys JDraw and Pipeline Pilot to help render the chemical structure and help search documents with embedded chemical structures. Using the Accelrys Direct cartridge, one can perform various types of structure searches like Sub Structure similarity, Flex match, or exact structure similarity. One can also connect to the Pipeline Pilot protocol and retrieve information like IUPAC name, or any of the molecular properties in a SharePoint database list.

Read the full article at:

Tallapragada K, Chewning J, Kombo D, Ludwick B. Making SharePoint® Chemically Aware™. J Cheminform. 2012 Jan 12;4(1):1. Available from: [Accessed 9th July 2012]


Written by hbasset

July 9, 2012 at 5:50 pm

Posted in 03: Storage

Tagged with ,

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  1. […] Searching by chemical structures into a SharePoint environment … […]

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