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Welcome to our website!

Digital Chemistry specialises in cheminformatics software, science & services related to pharmaceutical R&D. Our product range has been developed almost exclusively through working with, and meeting the exacting needs of, our valued customers.

To find out more about the Company, its products & services, and discover how we can meet your R&D software needs, please visit the relevant web pages highlighted or feel free to contact us directly using any of the contact details provided throughout this site.

Using proprietary Markush technology, Torus™ enables the handling of chemical information (from single molecules to vast combinatorial libraries) within an industry-standard Oracle® environment.

With its open architecture and no proprietary schema, Torus offers 1st-class chemistry within any Oracle-based application. Able to read & write most standard chemistry formats, data conversion from 3rd-party systems couldn't be easier.

Digital Chemistry's wholly-owned subsidiary, BCI, had developed an enviable reputation for its science and technology for over twenty years and its software tools continue to be deployed by discerning customers worldwide.

The BCI Toolkit continues to play a significant part in Digital Chemistry's product portfolio and recent enhancements have been made to its fingerprinting, clustering and Markush-handling functionality, including the release of the clustering tools as a SOAP Web Service.

Pat. Pending...

Our proprietary Markush technology, used to handle combinatorial libraries within Torus, has been designed with patent information in mind and extension of the format to handle 'patent-Markush' is the subject of a major development initiative at Digital Chemistry.

Visit our 'patent project' page to keep up to date with the latest developments or feel free to contact us directly to find out more.

Theilheimer's Synthetic Methods of Organic Chemistry

This renowned reference work has provided an essential review of modern synthetic organic chemistry for more than 60 years and we are delighted to be collaborating with the publishers, S. Karger AG, in continuing this great tradition. Volume 76 is currently in preparation, due for publication in July 2010.

Click here to find out more.

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(January 2010) S. Karger AG publishes volume 75 of Theilheimer's Synthetic Methods of Organic Chemistry, produced in collaboration with Digital Chemistry - also available as an 'ActiveBook'.
(December 2009) Digital Chemistry releases V 7.16 of the BCI Markush Toolkit. Major new functionality in this release includes new methods for fast construction of property distribution profiles for the molecules covered by a Markush structure, and for rapid identification of such molecules having a high similarity to a specified target. These enhancements are based on work described in a poster presented at the 2008 Noordwijkerhout conference.
(November 2009) Digital Chemistry is pleased to announce that it has been awarded a contract by the recently-formed InChI Trust to examine the existing InChI (IUPAC Chemical Identifier) program code, and to report on the resources needed for full documentation, recoding in other languages and extension to handle additional substance types. In addition Digital Chemistry will make recommendations for development of a comprehensive regression test suite, which will help to ensure the integrity of InChIs and InChI keys produced by different software, and different versions of the same software.
(October 2009) John Barnard's talk at the RSC's CICAG (Chemical Information and Computer Applications Group) meeting, "Should I Really Be Searching Patents", on October 28th is now available for download at the RSC Website.
     
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