Recent progress in QSAR-technology.
A short overview is given of some key developments in the field of structure-property correlations (SPC). Important improvements in hard- and software, as well as in methodology has given the chemist a number of tools permitting a rapid testing of structure-property ideas and which may be highly useful in unravelling the most relevant molecular properties in a particular series of compounds. Two main topics will be treated: method development and the use and understanding of molecular descriptors in SPC studies.
Van de Waterbeemd
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F. Hoffmann-La Roche Ltd., Pharma Research New Technologies, Basel, Switzerland.
D017076:Computer-Aided Design; D015195:Drug Design; D008432:Mathematical Computing; D008722:Methods; D008958:Models, Molecular; D013329:Structure-Activity Relationship