The graphical representation of ADME-related molecule properties for medicinal chemists

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Timothy J. Ritchie, Peter Ertl and Richard Lewis review various approaches that have been used to represent molecule properties graphically in the context of oral ‘drug likeness’, with the goal of improving the decision making of medicinal chemists during the drug discovery process.

This article focuses on how ADME-related rules of thumb can be rendered and presented to a medicinal chemistry audience in an appropriate graphical representation, using, for example, colour, shape and size to facilitate the selection or deselection of molecules during the drug discovery process.

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