Clustering in Bioinformatics and Drug Discovery

John David MacCuish, Norah E. MacCuish (Autoren)

Buch | Hardcover

244 Seiten

2010
Crc Press Inc (Verlag)
978-1-4398-1678-3 (ISBN)

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Presents an introduction to cluster analysis and algorithms in the context of drug discovery clustering applications. This book provides an understanding of the applications in clustering large combinatorial libraries for compound acquisition, HTS results, 3D lead hopping, gene expression for toxicity studies, and protein reaction data.

With a DVD of color figures, Clustering in Bioinformatics and Drug Discovery provides an expert guide on extracting the most pertinent information from pharmaceutical and biomedical data. It offers a concise overview of common and recent clustering methods used in bioinformatics and drug discovery.

Setting the stage for subsequent material, the first three chapters of the book introduce statistical learning theory, exploratory data analysis, clustering algorithms, different types of data, graph theory, and various clustering forms. In the following chapters on partitional, cluster sampling, and hierarchical algorithms, the book provides readers with enough detail to obtain a basic understanding of cluster analysis for bioinformatics and drug discovery. The remaining chapters cover more advanced methods, such as hybrid and parallel algorithms, as well as details related to specific types of data, including asymmetry, ambiguity, validation measures, and visualization.

This book explores the application of cluster analysis in the areas of bioinformatics and cheminformatics as they relate to drug discovery. Clarifying the use and misuse of clustering methods, it helps readers understand the relative merits of these methods and evaluate results so that useful hypotheses can be developed and tested.

John D. MacCuish is the founder and president of Mesa Analytics & Computing, Inc. He has co-authored several software patents and has worked on many image processing, data mining, and statistical modeling applications, including IRS fraud detection, credit card fraud detection, and automated reasoning systems for drug discovery. Norah E. MacCuish is the chief science officer of Mesa Analytics & Computing, Inc., where she acts as a consultant in the areas of drug design and compound acquisition and as a developer of commercial chemical information software products. She earned her Ph.D. in theoretical physical chemistry from Cornell University.

Introduction. Data. Clustering Forms. Partitional Algorithms. Cluster Sampling Algorithms. Hierarchical Algorithms. Hybrid Algorithms. Asymmetry. Ambiguity. Validation. Large Scale and Parallel Algorithms. Appendices. Bibliography.

Erscheint lt. Verlag	24.11.2010
Reihe/Serie	Chapman & Hall/CRC Computational Biology Series
Zusatzinfo	3 Tables, black and white; 63 Illustrations, black and white
Verlagsort	Bosa Roca
Sprache	englisch
Maße	156 x 234 mm
Gewicht	498 g
Themenwelt	Informatik ► Weitere Themen ► Bioinformatik
	Mathematik / Informatik ► Mathematik
	Medizin / Pharmazie ► Medizinische Fachgebiete ► Pharmakologie / Pharmakotherapie
	Medizin / Pharmazie ► Pflege
	Studium ► Querschnittsbereiche ► Epidemiologie / Med. Biometrie
	Naturwissenschaften ► Biologie
	Technik
ISBN-10	1-4398-1678-6 / 1439816786
ISBN-13	978-1-4398-1678-3 / 9781439816783
Zustand	Neuware