عنوان
پدید آورنده
موضوع
رده
QD461 .A323eb vol. 2
QD461
.
A323eb
vol
.
2
کتابخانه
محل استقرار
0080552269
9780080552262
9780762302581
b796112
Advances in molecular similarity.
[Book]
editors, Ramon Carbó-Dorca, Paul G. Mezey.
Volume 2 /
London :
JAI Press,
1998.
1 online resource (1 volume).
Advances in Molecular Similarity ;
v. 2
Includes bibliographical references and index.
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.
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
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.
Advances in molecular similarity. Volume 2.
9780762302581
Molecular structure, Periodicals.
Similarity (Physics), Periodicals.
Molecular structure.
SCIENCE-- Chemistry-- Physical & Theoretical.
Similarity (Physics)
SCI-- 013050
541
.
2/2
22
QD461
.
A323eb
vol
.
2
Carbó, Ramón.
Mathematical Chemistry (International Conference, 7th)
University of Girona., Institute of Computational Chemistry.
20201207090232.0
pn
مطالعه متن کتاب [Book]
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