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Molecular interaction fields; applications in drug discovery and ADME prediction. (CD-ROM included).


Molecular interaction fields; applications in drug discovery and ADME prediction. (CD-ROM included)

Ed. by Gabriele Cruciani.



307 pages



Methods and principles in medicinal chemistry, 27


Peter Goodford begins by explaining the basic principles of his GRID software for determining energetically favorable binding sites on molecules of known structure, which has been incorporated into many other software packages designed to predict the absorption, distribution, metabolism, and excretion (ADME) of a drug. Then chemists and pharmacologists from industry and academia in Europe and the US discuss calculating and applying molecular interaction fields, pharmacodynamics, and pharmacokinetics. The accompanying disk contains some software packages discussed in the text.

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Publication:SciTech Book News
Article Type:Book Review
Date:Jun 1, 2006
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