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Could you provide an overview of your research on target directed cancer drug discovery, particularly your focus on protein lagging interactions. How do structural biology and biochemical methods play a role in your world? The team that I lead within the CCDD is called the Hit Discovery and Structural Design Team.
Most papers describing new methods for machine learning (ML) in drug discovery report some sort of benchmark comparing their algorithm and/or molecular representation with the current state of the art. Many authors have simply classified any drugs used for psychiatric indications or drugs with side effects such as drowsiness as CNS penetrant.
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