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How AI/ML technology has accelerated drug discovery Although AI for drug discovery (AIDD) can be viewed as being in the initial phases of development and acceptance, compounds discovered using AIDD platforms are already entering clinical trials. To really benefit from AI, the pharmaceutical industry must be more open to data sharing.
However, more de novo designed molecules in this “beyond the Rule of 5 chemical space” have emerged, with the first in this class, plerixafor , approved in oncology in 2008. Still, of the 34 macrocycles currently in clinical trials, only 18% are de novo designed.
2] However, more de novo designed molecules in this “beyond the Rule of 5 chemical space” have emerged, with the first in this class, plerixafor , approved in oncology in 2008. Still, of the 34 macrocycles currently in clinical trials, only 18% are de novo designed.
Phase III trials for MK-0616 commenced in the second half of 2023. Nature Reviews Drug Discovery , 7(7):608624, 2008. Phase 2b randomized trial of the oral PCSK9 inhibitor MK-0616. Cyclic Peptide Design, Chapter 2: Strategies to Enhance MetabolicStabilities. 8 Why are there not more macrocyclic drugs?
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