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Fundamentals of molecular similarity

Author: Ramón Carbó; Xavier Gironés; Paul G Mezey
Publisher: New York : Kluwer Academic/Plenum Publishers, ©2001.
Series: Mathematical and computational chemistry.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:

Covers topics in quantum similarity approaches and electron density shape analysis methods. This work provides a theoretical understanding of molecular similarity. It also covers quantitative shape  Read more...

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Document Type: Book
All Authors / Contributors: Ramón Carbó; Xavier Gironés; Paul G Mezey
ISBN: 030646425X 9780306464256
OCLC Number: 46685502
Description: xxx, 341 pages : illustrations ; 26 cm.
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.
Series Title: Mathematical and computational chemistry.
Responsibility: edited by Ramon Carbó-Dorca, Xavier Gironés, and Paul G. Mezey.
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