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Three Dimensional QSAR: Applications in Pharmacology and Toxicology
Hardcover
Series: QSAR in Environmental and Health Sciences
Medical ReferenceChemistryEnvironmental Studies
ISBN13: 9781420091151
Publisher: CRC Press
Published: Sep 1 2009
Pages: 576
Weight: 2.15
Height: 1.40 Width: 6.10 Depth: 9.20
Language: English
With numerous examples and more than 1,000 references, this book presents the most recent QSAR methods and illustrates their scope, advantages, and limitations. It offers extended comparisons of 2.5D methods in which the 3D information is masked by data preprocessing and emphasizes the synergy of various aspects of chemoinformatics, including neural networks, genetic algorithms, support vector machines, data mining, and pharmacophore detection. The authors include actual calculations of the thermodynamic cycle and free energy perturbations. They also present the basic principles of molecular modeling methods and recent statistical/mathematical approaches.
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