Machine learning and AI are transforming drug discovery, impacting areas like target assessment, chemical space exploration, and compound optimization. At AstraZeneca, AI technologies such as protein folding and REINVENT push the boundaries of protein structure prediction and molecular ideation.
Further, the field is advancing with PROTACs (proteolytic targeting chimeras), which leverage the cellular degradation process for targeted protein degradation, potentially offering advantages over traditional inhibitors. Based on public data from PROTAC-DB and PROTACpedia we are building ML/AI models to help up enhance degradation efficiency predictions.
By addressing current challenges and using advanced techniques, AI continues to expand the scope and efficiency of drug discovery.
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