By Han van de Waterbeemd, Hendrik Timmerman, Raimund Mannhold, Povl Krogsgaard-Larsen
The statistical research of experimental and theoretical facts lies on the center of contemporary drug layout. This practice-oriented guide is a complete account of recent chemometric equipment in molecular layout. It offers suggestions for making extra rational offerings within the making plans of syntheses, and describes ideas for interpreting organic and chemical info. Written through the world's specialists, it offers in-depth details on * molecular thoughts * experimental layout within the making plans of syntheses * multivariate research of chemical and organic info * statistical validation of QSAR effects an extra gain: the booklet encompasses a severe survey of commercially to be had software program programs either for statistical research in addition to for certain purposes. business and educational researches in medicinal chemistry and natural chemistry will price this publication as an invaluable resource of data for his or her day-by-day paintings. additionally to be had: complex Computer-Assisted suggestions in Drug Discovery, edited by way of H. van de Waterbeemd
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