Nature. 2004 Dec 16;432(7019):855-61.

Navigating chemical space for biology and medicine.

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Pfizer Global R&D, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, USA. christopher_a_lipinski@groton.pfizer.com

Abstract

Despite over a century of applying organic synthesis to the search for drugs, we are still far from even a cursory examination of the vast number of possible small molecules that could be created. Indeed, a thorough examination of all 'chemical space' is practically impossible. Given this, what are the best strategies for identifying small molecules that modulate biological targets? And how might such strategies differ, depending on whether the primary goal is to understand biological systems or to develop potential drugs?

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