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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 well over 25,000 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.
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.