Design strategies for building drug-like chemical libraries.
There has been increased pressure over the last few years to design and synthesize chemical libraries that are more 'drug-like' in character. This review discusses what 'drug-like' is assumed to be, then examines recent developments in the prediction of 'drug-likeness'. It is noted that, while many methods allow a scientist to identify 'non-drug-like' molecules with a reasonable degree of certainty, a need still exists for physically meaningful descriptors that allow a chemist to design in 'drug-likeness', rather than relying on a computer to screen out unsuitable compounds.
Mitchell
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Millennium Pharmaceuticals Ltd, Merrifield Centre, Rosemary Lane, Cambridge CB1 3LQ, UK. Tim.Mitchell@mpi.com
Showell
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D055598:Chemical Phenomena; D002621:Chemistry; D016208:Databases, Factual; D015195:Drug Design; D004364:Pharmaceutical Preparations / Q000737:chemistry* / Q000378:metabolism; D014116:Toxicology
D004364:Pharmaceutical Preparations