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Issues in De Novo Molecular Design

Proteus Molecular Design Ltd., Proteus House, Lyme Green Business Park, Macclesfield, Cheshire, SKll OJL, United Kingdom. Present address Dagenham Research Centre, Rhone-Poulenc Rarer Ltd., Rainham Road South, Dagenham, Essex, RMIO 7XS, United Kingdom [Pg.67]

A maturing class of computational tools for SBDD is that directed toward de novo design, that is, the design rf novel molecules attempting to satisfy a set of steric and/or chemical constraints. Much research has been carried out in the [Pg.67]

Reviews in Computational Chemistry, Volume 11 Kenny B. Lipkowitz and Donald B. Boyd, Editors Wiley-VCH, John Wiley and Sons, Inc., New York, 1997 [Pg.67]

Clark D E, C W Murray and J Li 1997. Current Issues in De Novo Molecular Design. In Lipkowitz K B and D B Boyd (Editors) Reviews in Computational Chemistry Volume 11. New York, VCH Publishers, pp. 67-125. [Pg.735]

Clark DE, Mnrray CW, Li J. Cnrrent issues in de novo molecular design. In Lipkowitz KB, Boyd DB, editors. Reviews in Computational Chemistry, Vol. 11. New York Wiley-VCH, 1997. p. 67-125. [Pg.48]

David E. Clark, Christopher W. Murray, and Jin Li, Current Issues in De Novo Molecular Design. [Pg.444]

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