Concepts and applications of molecular similarity

Abstract

Introduction to Similarity in Chemistry The Evolution of the Concept of Molecular Similarity Algorithms for the Calculation of Similarity in Chemical Structure Database Applications of Two-Dimensional Chemical Similarity Measures to Database Analysis and Querying Molecular Similarity Approaches to Property Optimization Molecular Similarity and Quantum Chemistry Molecular Shape Analysis: A Formalism to Quantitatively Establish Spatial Molecular Similarity Molecular Recognition: The Measurement and Search for Molecular Similarity in Ligand- Receptor Interaction Chemical Similarity, Chemical Distance and Computer-Assisted Formalized Reasoning by Analogy Similarity Concepts in Modeling Chemical Transformation Pathways Three- Dimensional Topological Aspects of Molecular Similarity An Approach to Molecular Similarity.