عنوان
پدید آورنده
موضوع
رده
QD461 .A323eb vol. 2
QD461
.
A323eb
vol
.
2
کتابخانه
محل استقرار
INTERNATIONAL STANDARD BOOK NUMBER
(Number (ISBN
0080552269
(Number (ISBN
9780080552262
Erroneous ISBN
9780762302581
NATIONAL BIBLIOGRAPHY NUMBER
Number
b796112
TITLE AND STATEMENT OF RESPONSIBILITY
Title Proper
Advances in molecular similarity.
General Material Designation
[Book]
First Statement of Responsibility
editors, Ramon Carbó-Dorca, Paul G. Mezey.
Volume Designation
Volume 2 /
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
London :
Name of Publisher, Distributor, etc.
JAI Press,
Date of Publication, Distribution, etc.
1998.
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
1 online resource (1 volume).
SERIES
Series Title
Advances in Molecular Similarity ;
Volume Designation
v. 2
INTERNAL BIBLIOGRAPHIES/INDEXES NOTE
Text of Note
Includes bibliographical references and index.
CONTENTS NOTE
Text of Note
Cover; CONTENTS; LIST OF CONTRIBUTORS; PREFACE; CHAPTER 1. QUANTUM SIMILARITY; CHAPTER 2. FUZZY SETS AND BOOLEAN TAGGED SETS; VECTOR SEMISPACES AND CONVEX SETS; QUANTUM SIMILARITY MEASURES AND ASA DENSITY FUNCTIONS; DIAGONAL VECTOR SPACES AND QUANTUM CHEMISTRY; CHAPTER 3. PATTERN RECOGNITION TECHNIQUES IN MOLECULAR SIMILARITY; CHAPTER 4. TOPOLOGY AND THE QUANTUM CHEMICAL SHAPE CONCEPT; CHAPTER 5. STRUCTURAL SIMILARITY ANALYSIS BASED ON TOPOLOGICAL FRAGMENT SPECTRA; CHAPTER 6. ANALYSIS OF THE TRANSFERABILITY OF SIMILARITY CALCULATIONS FROM SUBSTRUCTURES TO COMPLEX COMPOUNDS.
Text of Note
Chapter 7. similarity in organic synthesis design: comparing the syntheses of different compoundschapter 8. browsable structure-activity datasets; chapter 9. characterization of the molecular similarity of chemicals using topological invariants; chapter 10. optimizing hybrid density functionals by means of quantum molecular similarity techniques; chapter 11. atomic similarity through a neural network: self-associative periodic table of elements; chapter 12. comparison of quantum similarity measures derived from one-electron, intracule, and extracule densities.
0
8
SUMMARY OR ABSTRACT
Text of Note
This volume highlights some of the advances in molecular similarity. Molecular similarity research is a dynamic field where the rapid transfer of ideas and methodologies from the theoretical, quantum chemical and mathematical chemistry disciplines to efficient algorithms and computer programs used in industrially important applications is especially evident. These applications often serve as motivating factors toward new advances in the fundamental and theoretical fields, and the combination of intellectual challenge and practical utility provides mutual advantages to theoreticians and experim.
OTHER EDITION IN ANOTHER MEDIUM
Title
Advances in molecular similarity. Volume 2.
International Standard Book Number
9780762302581
TOPICAL NAME USED AS SUBJECT
Molecular structure, Periodicals.
Similarity (Physics), Periodicals.
Molecular structure.
SCIENCE-- Chemistry-- Physical & Theoretical.
Similarity (Physics)
(SUBJECT CATEGORY (Provisional
SCI-- 013050
DEWEY DECIMAL CLASSIFICATION
Number
541
.
2/2
Edition
22
LIBRARY OF CONGRESS CLASSIFICATION
Class number
QD461
Book number
.
A323eb
vol
.
2
PERSONAL NAME - ALTERNATIVE RESPONSIBILITY
Carbó, Ramón.
CORPORATE BODY NAME - ALTERNATIVE RESPONSIBILITY
Mathematical Chemistry (International Conference, 7th)
University of Girona., Institute of Computational Chemistry.
ORIGINATING SOURCE
Date of Transaction
20201207090232.0
Cataloguing Rules (Descriptive Conventions))
pn
ELECTRONIC LOCATION AND ACCESS
Electronic name
مطالعه متن کتاب [Book]
Y
