Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity
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Published By Springer US

9781441933447, 9781475732733

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Similarity Analysis of Molecular Interaction Potential Distributions. The MIPSIM Software

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_14 ◽

2001 ◽

pp. 333-338 ◽

Author(s):

F. Sanz ◽

M. De Càceres ◽

J. Villà

Keyword(s):

Interaction Potential ◽

Molecular Interaction ◽

Similarity Analysis

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Quantum-Mechanical Theory of Atoms in Molecules: A Relativistic Formulation

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_7 ◽

2001 ◽

pp. 101-112 ◽

Author(s):

Jerzy Cioslowski ◽

Jacek Karwowski

Keyword(s):

Atoms In Molecules ◽

Quantum Mechanical ◽

Mechanical Theory ◽

Relativistic Formulation ◽

Quantum Mechanical Theory

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Dissimilarity Measures: Introducing a Novel Methodology

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_6 ◽

2001 ◽

pp. 83-99

Author(s):

Guido Sello

Keyword(s):

Dissimilarity Measures

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Partitioning of Free Energies of Solvation into Fragment Contributions: Applications in Drug Design

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_10 ◽

2001 ◽

pp. 143-168 ◽

Author(s):

J. Muñoz ◽

X. Barril ◽

F. J. Luque ◽

J. L. Gelpí ◽

M. Orozco

Keyword(s):

Drug Design ◽

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Database Organization and Similarity Searching with E-State Indices

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_3 ◽

2001 ◽

pp. 33-49 ◽

Author(s):

Lemond B. Kier ◽

Llowell H. Hall

Keyword(s):

Similarity Searching ◽

Database Organization

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Some Relationships between Molecular Energy-Topology and Symmetry

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_2 ◽

2001 ◽

pp. 11-31 ◽

Author(s):

J. Gálvez ◽

R. García-Domenech ◽

J. V. de Julián-Ortiz

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Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_12 ◽

2001 ◽

pp. 187-320 ◽

Author(s):

Ramon Carbó-Dorca ◽

Lluís Amat ◽

Emili Besalú ◽

Xavier Gironés ◽

David Robert

Keyword(s):

Molecular Similarity ◽

Similarity Theory ◽

Biological Activities ◽

Molecular Properties ◽

Quantum Molecular Similarity

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Confronting modern valence bond theory with momentum-space quantum similarity and with pair density analysis

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_11 ◽

2001 ◽

pp. 169-185

Author(s):

David L. Cooper ◽

Neil L. Allan ◽

Peter B. Karadakov

Keyword(s):

Momentum Space ◽

Valence Bond ◽

Quantum Similarity ◽

Valence Bond Theory ◽

Pair Density ◽

Density Analysis ◽

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Topological Pharmacophore Description of Chemical Structures using MAB-Force-Field-Derived Data and Corresponding Similarity Measures

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_5 ◽

2001 ◽

pp. 67-81 ◽

Author(s):

Paul R. Gerber

Keyword(s):

Force Field ◽

Similarity Measures ◽

Chemical Structures ◽

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Prediction of boiling points of organic compounds from molecular descriptors by using backpropagation neural network

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity ◽

10.1007/978-1-4757-3273-3_1 ◽

2001 ◽

pp. 1-10 ◽

Author(s):

G. Espinosa ◽

A. Arenas ◽

Francesc Giralt

Keyword(s):

Neural Network ◽

Organic Compounds ◽

Molecular Descriptors ◽

Backpropagation Neural Network ◽

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