Chemical Structures 2

Table of Contents

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   Book Overview
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   Chapter 1 Chemistry in Three Dimensions
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   Chapter 2 A Hierarchy of the Structure of Matter from the Viewpoint of Information Retrieval and Structure-Property Correlations
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   Chapter 3 A Personal Computer Program System for NMR Database Construction
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   Chapter 4 ‘B-Base’ — A Structure-Oriented, Numerical, Factual Database for 11B-NMR Spectroscopy and Related Information about Other Nuclei
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   Chapter 5 Integrating Chemical Nomenclature Interfaces to Structure-Based Information Systems
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   Chapter 6 AUTONOM — A Chemist’s Dream: System for (Micro)Computer Generation of IUPAC-Compatible Names from Structural Input
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   Chapter 7 Macromolecules: Structure Representation and Nomenclature
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   Chapter 8 Searching a Full Generics Database
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    Chapter 9 Automatic Translation of GENSAL Representations of Markush Structures into Gremas Fragment Codes at IDC
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    Chapter 10 Chiral Structure Database for Saccharides
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    Chapter 11 Addition of Atom/Bond Stereochemistry to the CAS Registry File
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    Chapter 12 Relative Configurations in Stereochemical Substructure Search
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    Chapter 13 The Du Pont Global Technical Information System
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    Chapter 14 Chemical Structure Registration for Beilstein Online
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    Chapter 15 Structure and Substructure Searching on Dialog
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    Chapter 16 The Darc In-House Packages as a Library of Stand-Alone Functions for Building Applications in Handling Chemical Information
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    Chapter 17 The Standard Molecular Data (SMD) Format
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    Chapter 18 GEMINI: A Generalised Connection Table Language and Interpreter
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    Chapter 19 Rings — The Importance of Being Perceived
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    Chapter 20 Computer Representation and Searching of Chemical Substances
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    Chapter 21 Information Integration: Distributed Chemical Information Management Systems
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    Chapter 22 Integrating Chemical Structures into an Extended Relational Database System
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    Chapter 23 Multiplatform Chemical Structure Management
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    Chapter 24 Representation and Searching of 3-D Protein Structures
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    Chapter 25 Use of Angular Information in Three-Dimensional Substructure Searching Systems
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    Chapter 26 Conformational Freedom in 3-D Databases
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    Chapter 27 Using 3-D Similarity Searching to Develop Synthetic Targets
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    Chapter 28 Identifying Unique Core Molecules from the Output of a 3-D Database Search
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    Chapter 29 Chemical Structure Handling Using the Distributed Array Processor
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    Chapter 30 3-D Searching and Numerical Analyses Applied to Files of Crystallographic Data: Methodologies, Examples, and Integration with 1-D and 2-D Techniques
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    Chapter 31 An Integrated Approach to 2-D and 3-D Similarity Searching for the Cambridge Structural Database (CSD)
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    Chapter 32 Calculation of Three-Dimensional Structural Similarity
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    Chapter 33 Molecular Dissimilarity in Chemical Information Systems
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    Chapter 34 Similarity and Analogy Based on Discrimination Net
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    Chapter 35 Similarity Searching in the Development of New Bioactive Compounds. An Application.
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    Chapter 36 Evaluation of Similarity Searching Methods Using Activity and Toxicity Data
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    Chapter 37 Similarity Criteria for Chemical Structures and Reactions
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    Chapter 38 The ANSA Matrix, a Useful Tool for Coding Cyclization Reactions
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    Chapter 39 Chemical Reaction Retrieval Using Citation-Based Relationships
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    Chapter 40 Chemical Reaction Sequence Searching
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    Chapter 41 Multistep Reaction Schemes in the Reaction Access System (REACCS)