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Fundamentals of Molecular Similarity

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Table of Contents

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    Book Overview
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    Chapter 1 Prediction of boiling points of organic compounds from molecular descriptors by using backpropagation neural network
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    Chapter 2 Some Relationships between Molecular Energy-Topology and Symmetry
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    Chapter 3 Database Organization and Similarity Searching with E-State Indices
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    Chapter 4 Similarity Searching In Chemical Databases Using Molecular Fields And Data Fusion
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    Chapter 5 Topological Pharmacophore Description of Chemical Structures using MAB-Force-Field-Derived Data and Corresponding Similarity Measures
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    Chapter 6 Dissimilarity Measures: Introducing a Novel Methodology
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    Chapter 7 Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation
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    Chapter 8 Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem
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    Chapter 9 Quantum Chemical Reactivity: Beyond the Study of Small Molecules
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    Chapter 10 Partitioning of Free Energies of Solvation into Fragment Contributions: Applications in Drug Design
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    Chapter 11 Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis
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    Chapter 12 Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity
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    Chapter 13 Self-Organizing Molecular Field Analysis (SOMFA): A Tool for Structure-Activity Studies
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    Chapter 14 Similarity Analysis of Molecular Interaction Potential Distributions. The MIPSIM Software
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Title
Fundamentals of Molecular Similarity
Published by
Springer US, April 2013
DOI 10.1007/978-1-4757-3273-3
ISBNs
978-1-4419-3344-7, 978-1-4757-3273-3
Editors

Carbó-Dorca, Ramon, Gironés, Xavier, Mezey, Paul G.

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The data shown below were compiled from readership statistics for 1 Mendeley reader of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Unknown 1 100%

Demographic breakdown

Readers by professional status Count As %
Researcher 1 100%
Readers by discipline Count As %
Chemistry 1 100%