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Digital Chemistry specialises in cheminformatics software, science & services related to pharmaceutical R&D. Over the years, we have developed 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 proprietary Markush technology. Recent developments have focused on refinements to our patent Markush searching algorithms, enabling advanced (sub)structure searching of chemical patent databases.
As of January 2015, ownership of our cheminformatics software, including fingerprinting and clustering algorithms, chemical representation and format interchange software, Torus and the Markush Toolkit was transferred to Lhasa Limited, who should be contacted directly with any enquiries.
We continue to offer István Ujváry's BIOSTER database as part of our product portfolio, in collaboration with Optibrium and Patcore. 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.
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.