Tools to Identify Bioisosteric Groups Based on Similarity in Their Properties

Leach et al. presented an interesting method for characterizing groups in terms of the pharmacophoric features they contain, taking into account full conformational 

1 Langdon, S.R., Ertl, P., and Brown, N. (2010) Bioisosteric replacement and scaffold hopping in lead generation and optimization. Molecular Informatics, 29, 366-385. 

2 Devereux, M. and Popelier, P.L.A. (2010) In silico technique s for the identification of bioisosteric replacements for drug design. Current Topics in Medicinal Chemistry, 10, 657-668. 

(2007) In silico identification of bioisosteric functional groups. Current Opinion in Drug Discovery S, Development, 10, 281-288. 

4 Kubinyi, H. (2003) Drug research myths, hype and reality. Nature Reviews Drug Discovery, 2, 665-668. 

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