Understanding compound selectivity with data-driven drug design

Understanding compound selectivity with data-driven drug design

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Selectivity is a crucial property in the development of new active pharmaceutical ingredients (APIs). Binding site comparisons within a protein family are key to modulating the selectivity profile of a potential new API, which includes understanding both on- and off-target effects. This white paper outlines the importance of data-driven-drug design to maximise compound selectivity.

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