Concepts and Applications of Molecular Similarity

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 toDatabase Analysis and Querying (D. Bawden).

Molecular Similarity and Quantum Chemistry (R. Carbo).

Molecular Recognition: The Measurement and Search for MolecularSimilarity 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).

Index.

Mark A. Johnson is an American physical chemist and a professor of chemistry at Yale University. He received his Ph.D at Stanford University in 1983. Since 2011, Johnson is co-editor-in-chief of Annual Review of Physical Chemistry. Gerald M. Maggiora is the editor of Concepts and Applications of Molecular Similarity, published by Wiley.