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Digital Chemistry specialises in cheminformatics software, science & services related to pharmaceutical R&D. We offer a comprehensive range of software tools, that are readily integrated into 3rd-party applications and able to make light work of processing the largest of chemistry databases, stored either as discrete molecules or as concise libraries using our proprietary Markush technology. Recent developments have focused on refinements to our patent Markush searching algorithms, enabling advanced (sub)structure searching of chemical patent databases.

We are also very pleased to be able to offer István Ujváry's BIOSTER database as part of our product portfolio. This well-respected database, comprising over 30,000 tried and tested bioanalogous molecule pairs, is an essential tool for any drug discovery programme, providing a basis for prediction of novel active molecules, literature precedent and validation for structural modifications based on the principle of bioisosterism, and potential for finding (or filling!) holes in chemical patents.

Consultancy Services
Furthermore, our expertise in the areas of software development, database development and chemistry publishing can be applied to your specific project needs under a cost-effective consultancy arrangement. Recent and ongoing projects include QA, documentation and development of the InChI code, production of the Theilheimer series (from chemical abstract to print-ready PDF), and customisation of our own Markush code to meet a specific customer requirement.





Recent Highlights:

November 2014: Version 15.1 of the BIOSTER™ database is now available, comprising over 30,000 bioanalogous transformations.

October 2014: Volume 84 of Theilheimer's Synthetic Methods published by Karger. More at Karger...

July 2014: Version 7.20 of BCI Markush Toolkit now available, including bug fixes and enhancements.

January 2014: Volume 83 of Theilheimer's Synthetic Methods published by Karger. More at Karger...

July 2013: BIOSTER™ database released with Optibrium's StarDrop software suite. More at Optibrium...

July 2013: Volume 82 of Theilheimer's Synthetic Methods published by Karger. More at Karger...

June 2013: Version 13.1 of the BIOSTER™ database is now available, comprising over 27,000 bioanalogous transformations.

January 2013: Volume 81 of Theilheimer's Synthetic Methods published by Karger. More at Karger...

December 2012: Optibrium and Digital Chemistry Announce Technology Collaboration to Guide Successful Drug Discovery

Optibrium and Digital Chemistry, providers of software and database solutions for drug discovery, today announce an agreement to collaborate on the integration of Digital Chemistry's unique BIOSTER™ database of precedented bioisostere replacements with Optibrium's StarDrop software suite. This combination will allow drug discovery teams to quickly identify novel, high quality compounds based on the BIOSTER molecular transformations and prioritise these within StarDrop's intuitive environment that guides the design and selection of compounds with an optimal balance of properties. read the press release...

Recent publications (co)authored by Digital Chemistry directors cover the BIOSTER database, Theilheimer's Synthetic Methods of Organic Synthesis, chemical patent information systems, chemical representation and synthesis design; More...

Further Information
If you would like to find out more about the Company, its products & services, and discover how we can meet your specific software or project 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.

For general enquiries:

or Phone: +44 (0)113 267 8667

Digital Chemistry is registered in England, number 05568841
(VAT number: GB 870 3296 19)

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