Abstract
It has long been the dream of the medicinal chemist to design drugs that have a specific pharmacological action.1, 2 In the pharmaceutical and agrochemical industries, many thousands of compounds are synthesized and each is tested experimentally to see whether it has the desired properties. Just one in 5000 potential drugs will eventually prove to be a success, and it typically takes ten years to bring a new product to market at an average cost of £120–150m.3 The drug discovery process has thus relied on the skill of the synthetic organic chemist to provide an unlimited supply of novel compounds for screening. The challenge of medicinal chemistry has become not HOW to make a compound, but WHAT to make.’4 There would be obvious benefits, both intellectually and commercially, if the effects of a given molecule could be predicted and molecules could be designed to fulfil a specific purpose.
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© 1994 J. G. Vinter and M. Gardner
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Burt, C. (1994). Molecular Similarity Calculations for the Rational Design of Bioactive Molecules. In: Vinter, J.G., Gardner, M. (eds) Molecular Modelling and Drug Design. Topics in Molecular and Structural Biology. Palgrave, London. https://doi.org/10.1007/978-1-349-12973-7_8
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DOI: https://doi.org/10.1007/978-1-349-12973-7_8
Publisher Name: Palgrave, London
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