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Quantitative Drug Design - A Critical Introduction, Second Edition (Paperback, 2nd edition)
Loot Price: R1,959
Discovery Miles 19 590
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Quantitative Drug Design - A Critical Introduction, Second Edition (Paperback, 2nd edition)
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Total price: R1,979
Discovery Miles: 19 790
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Since the publication of the first edition, the field has changed
dramatically. Scientists can now explicitly consider 3D features in
quantitative structure-activity relationship (QSAR) studies and
often have the 3D structure of the macromolecular target to guide
the 3D QSAR. Improvements in computer hardware and software have
also made the methods more accessible to scientists. Taking these
developments into account, Quantitative Drug Design: A Critical
Introduction, Second Edition shows scientists how to apply QSAR
techniques at a state-of-the-art level. New to the Second Edition A
new chapter on methods that identify the 3D conformations to use
for 3D QSAR New discussions on partial least squares,
multidimensional scaling, clustering, support vector machines, kNN
potency prediction, and recursive partitioning Expanded case
studies that include the results of data that has been re-analyzed
using newer methods A new case study on the discovery of novel
dopaminergics with pharmacophore mapping and CoMFA A new case study
on the application of CoMFA to series in which the 3D structure of
the ligand-protein complex is known Based on the author's four
decades of experience in all areas of ligand-based
computer-assisted drug design, this invaluable book describes how
to transform ligand structure-activity relationships into models
that predict the potency or activity/inactivity of new molecules.
It will help you avoid traps when dealing with quantitative drug
design.
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