CDI Pte Ltd was established in 2020 by Alexei Lapkin, Jana Weber and Zhen Guo. It is a spin out from Cambridge Centre for Advanced Research and Education in Singapore (CARES Ltd). The company is developing software tools for deep exploration of chemical data. The main tool of CDI is CDI-CASP (computer assisted synthesis planning), which is a workbench for synthetic and process chemists to explore options for a single step or a multi-step synthesis planning (retrosynthesis, forward synthesis, exploring alternative starting materials (for example – switching to bio-based feedstocks or carbon dioxide as a starting material). CDI-CASP is a modular solution and has several workflows that were designed in close collaboration with end-users. The different modules allow to perform search of short synthetic plans (fewer than six steps), long synthetic plans (6+ steps), explore reactions with chiral centre formation, identify potential impurities in target reactions, etc.

As well as CDI-CASP software, the company is undertaking contract R&D in the area of developing data-driven models for chemical products design, for identification of specific new chemical transformations, for creating custom software solutions based on ML models of chemical data. CDI's current portfolio of contract projects is over $S2.5m with main clients being global pharma companies. 




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