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

9781441933447, 9781475732733

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

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 ◽

Cited By ~ 1

Author(s):

F. Sanz ◽

M. De Càceres ◽

J. Villà

Keyword(s):

Interaction Potential ◽

Molecular Interaction ◽

Similarity Analysis

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 ◽

Cited By ~ 6

Author(s):

Jerzy Cioslowski ◽

Jacek Karwowski

Keyword(s):

Atoms In Molecules ◽

Quantum Mechanical ◽

Mechanical Theory ◽

Relativistic Formulation ◽

Quantum Mechanical Theory

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

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 ◽

Cited By ~ 8

Author(s):

J. Muñoz ◽

X. Barril ◽

F. J. Luque ◽

J. L. Gelpí ◽

M. Orozco

Keyword(s):

Drug Design ◽

Free Energies

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 ◽

Cited By ~ 2

Author(s):

Lemond B. Kier ◽

Llowell H. Hall

Keyword(s):

Similarity Searching ◽

Database Organization

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 ◽

Cited By ~ 1

Author(s):

J. Gálvez ◽

R. García-Domenech ◽

J. V. de Julián-Ortiz

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 ◽

Cited By ~ 15

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

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 ◽

Bond Theory

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 ◽

Cited By ~ 3

Author(s):

Paul R. Gerber

Keyword(s):

Force Field ◽

Similarity Measures ◽

Chemical Structures ◽

Derived Data

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 ◽

Cited By ~ 2

Author(s):

G. Espinosa ◽

A. Arenas ◽

Francesc Giralt

Keyword(s):

Neural Network ◽

Organic Compounds ◽

Molecular Descriptors ◽

Backpropagation Neural Network ◽

Boiling Points

Mathematical and Computational Chemistry - Fundamentals of Molecular SimilarityLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer US

Similarity Analysis of Molecular Interaction Potential Distributions. The MIPSIM Software

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

Dissimilarity Measures: Introducing a Novel Methodology

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

Database Organization and Similarity Searching with E-State Indices

Some Relationships between Molecular Energy-Topology and Symmetry

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

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

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

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

Mathematical and Computational Chemistry - Fundamentals of Molecular Similarity
Latest Publications