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Concepts and Applications of Molecular Similarity

Concepts and Applications of Molecular Similarity

Mark A. Johnson (Editor), Gerald M. Maggiora (Editor)

ISBN: 978-0-471-62175-1

Sep 1990

393 pages

Select type: Hardcover

Out of stock



Offers authoritative overviews of topics related to the definition, computation and application of molecular similarity and emphasizes current research trends with molecular similarity as the unifying concept. Introduces and defines the concept of molecular similarity and explains how it can be used to explore the data containing 2-D and 3-D chemical information. Addresses the basic problem of relating chemical structures to their associated chemical and biological properties. Final chapters illustrate the use of similarity arguments in the study of chemical reaction pathways and present theoretical approaches to the concept of molecular similarity.
Partial table of contents:

The Evolution of the Concept of Molecular Similarity (D. Rouvray).

Applications of Two-Dimensional Chemical Similarity Measures to Database Analysis and Querying (D. Bawden).

Molecular Similarity and Quantum Chemistry (R. Carbo).

Molecular Recognition: The Measurement and Search for Molecular Similarity in Ligand-Receptor Interaction (P. Dean).

Similarity Concepts in Modeling Chemical Transformation Pathways (M. Johnson, et al.).

Three-Dimensional Topological Aspects of Molecular Similarity (P. Mezey).

An Approach to Molecular Similarity (R. Rosen).