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JChem User's Guide
Version 5.1.0
Contents
JChem Base
JChem Manager, installation, administration
JChem Query Guide
R-group Search
Reaction Search
The jcsearch Utility
JChem Cartridge
Standardization
Chemical Expressions
Evaluation of Chemical Terms
Table of Chemical Terms functions
Screen
Pharmacophore Topology Analysis
Pharmacophore Mapping
Molecular Descriptor Generation
Screening Molecular Descriptors
Dissimilarity Metric Optimization
Screening Performance Analyzer
Optimizing Virtual Screening
Reaction Processing
Library Profiling
Fragmentation
FragmentStatistics
R-group Decomposition
Clustering
Molecular Descriptor Generation
Similarity Comparisons and Statistics
Jarvis-Patrick Clustering
Ward Clustering
Maximum Common Structure Based Hierarchical Clustering
Displaying Clustering Results
License Management