Research Catalog

Fundamentals of molecular similarity

Title: Fundamentals of molecular similarity / edited by Ramon Carbó-Dorca, Xavier Gironés, and Paul G. Mezey.
Publication: New York : Kluwer Academic/Plenum Publishers, [2001], ©2001.

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Status	Format	Access	Call Number	Item Location
Request for On-site Use Request Scan How do I pick up this item and when will it be ready?	Text	Request in advance	QD461 .F94 2001	Off-site

Additional Authors

Description

xxx, 341 pages : illustrations; 26 cm.

Series Statement

Mathematical and computational chemistry

Uniform Title

Mathematical and computational chemistry.

Subjects

Bibliography (note)

Contents

Ch. 1. Prediction of Boiling Points of Organic Compounds from Molecular Descriptors by Using Backpropagation Neural Network -- Ch. 2. Some Relationships Between Molecular Energy-Topology and Symmetry -- Ch. 3. Database Organization and Similarity Searching with E-State Indices -- Ch. 4. Similarity Searching in Chemical Databases Using Molecular Fields and Data Fusion -- Ch. 5. Topological Pharmacophore Description of Chemical Structures Using Mab-Force-Field-Derived Data and Corresponding Similarity Measures -- Ch. 6. Dissimilarity Measures: Introducing a Novel Methodology -- Ch. 7. Quantum-Mechanical Theory of Atoms in Molecules: Relativistic Formulation -- Ch. 8. Topological Similarity of Molecules and the Consequences of the Holographic Electron Density Theorem, an Extension of the Hohenberg-Kohn Theorem -- Ch. 9. Quantum Chemical Reactivity: Beyond the Study of Small Molecules --
Ch. 10. Partitioning of Free Energies of Solvation into Fragment Contributions: Applications in Drug Design -- Ch. 11. Confronting Modern Valence Bond Theory with Momentum-Space Quantum Similarity and with Pair Density Analysis -- Ch. 12. Quantum Molecular Similarity: Theory and Applications to the Evaluation of Molecular Properties, Biological Activities and Toxicity -- Ch. 13. Self-Organizing Molecular Field Analysis (SOMFA): A Tool or Structure-Activity Studies -- Ch. 14. Similarity Analysis of Molecular Interaction Potential Distributions. The Mipsim Software.

ISBN

030646425X

LCCN

2001029576

OCLC

Owning Institutions

Columbia University Libraries