Drug R&D is a very complicated, costly and time-consuming attempt. But with the advent of AI, this process can be simplified and more quickly paced. AI system allows optimization of an algorithm to identify new chemical matter with a desired molecular profile. AI has been used from the beginning of the drug discovery process, including for initial hits from de novo design generated directly from data.
Chemical database (1060) is estimated by the molecules containing up to 30 C, N, O and S atoms, and it just a tiny fragment of all the compounds with drug-like properties by logarithmic scale.
Compared with traditional methods, CD ComputaBio can help customers save the cost of screening candidates by tens of billions every year. This AI platform can be widely used in various scenarios regarding drug development.
Screen hits from existing compound library (virtual screening)
Molecular Generation and Filtering
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