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


Stephen Carney

In this article, the most downloaded of Q1 2011, 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.

The importance of striving for and maintaining drug-like physicochemical properties during the hit and

lead optimization process is now well documented, and many published studies have suggested optimal

ranges and/or limits for key molecule descriptors such as size, lipophilicity, H-bonding characteristics,

rotatable bond and aromatic ring counts, particularly with regard to the design of orally administered

drugs. The aim of this article is to 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.

 

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This article is featured in:
Drug Metabolism  •  Medicinal Chemistry

 

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