CCDC Selects Dotmatics to Support 2D Queries in its New Cambridge Structural Database Web Application

Agreement Delivers Seamless User Experience Across 2D and 3D Structures

BISHOP’S STORTFORD, England – June 09, 2017 - Dotmatics, a leading provider of scientific informatics solutions and services, today announced that the Cambridge Crystallographic Data Centre (CCDC) has integrated Dotmatics Elemental JavaScript sketcher into the Cambridge Structural Database (CSD). The CSD is a repository of experimentally determined organic and metal-organic crystal structures used by pharmaceutical, biotech, and materials research companies and academic institutions worldwide. This announcement is part of an improved web-based CSD structure searching interface announced today by CCDC – WebCSD v2.

The structure search functionality within WebCSD v2 uses the Elemental JavaScript sketcher from Dotmatics to match exact or substructure 2D drawings with complete molecules or substructures within molecules respectively. All active CSD license holders have immediate access to the new 2D structure search features.

“We selected Dotmatics Elemental due to its intuitiveness and ease of use for 2D molecular sketching across all web-enabled devices,” said Pete Wood, Product Manager for CCDC’s CSD-System. “Dotmatics provides accessible chemical sketching appropriate for our wide range of users including educators, academic researchers and industrial scientists across a broad spectrum of chemistry.”

Dotmatics Elemental is a chemical sketcher that enables scientists to draw, edit, and save structures and reactions, and calculate chemical properties. In addition to the lightweight JavaScript plugin for sketching in-line in webpages being used by the CCDC, Elemental is available as a fully-featured desktop application and an iOS app. The plug-in makes it easy to deploy on premise or in the cloud. Elemental allows for multiple export options including molfile, rxnfile, SMILES and SMARTS formats. It automatically flags violations of allowed valences. 

“The CSD is an essential resource to scientists around the world”, said Mike Hartshorn, DPhil, CSO of Dotmatics. “Combining Elemental JavaScript and WebCSD v2 allows scientists to access the full power of structure searching across the CSD in all modern web browsers”

To learn more about Elemental, visit https://www.dotmatics.com/products/elemental

About Dotmatics:
Dotmatics is a leading global scientific informatics software and services provider, delivering solutions tailored to the modern, highly collaborative and mobile scientific environments. The company provides solutions to several vertical markets, including the pharmaceutical, biotechnology, academia, food and beverage, oil and gas, and agrochemical industries. Dotmatics’ enterprise solutions are flexible, scalable and configurable, providing effective scientific information management across entire organisations, from discovery research to development and early manufacturing. Dotmatics has significant expertise in scientific informatics, including database management for chemistry and biologics, electronic laboratory notebooks, chemical and biological registration, screening data management, SAR analysis, reporting, and visualisation. Dotmatics solutions are available for local or cloud deployment and supported on Microsoft Windows, Mac OS X and Linux. For more information visit dotmatics.com.
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