This system can computationally sort through and compare various properties of millions of potential small molecules, looking for 10 or 20 to synthesize, test and optimize in lab experiments before selecting the eventual drug candidate for clinical trials.
Where it might have taken the traditional discovery process 4–5 years to come up with the drug candidate-an A2 receptor antagonist designed to help T cells fight solid tumors-it was found in 8 months by harnessing Exscientia’s ‘Centaur Chemist’ AI design platform. The candidate was created in partnership with Exscientia, a company based in Oxford, UK, that applies artificial intelligence (AI) techniques to small-molecule drug discovery. In April of this year, the German biotechnology company Evotec announced a phase 1 clinical trial on a new anticancer molecule.
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