JChem User's Guide

Contents

• JChem Base
  • JChem Manager, installation, administration
  • JChem Query Guide
  • R-group Search
  • R-group Decomposition
  • Reaction Search
  • The jcsearch Utility
  • The jcunique 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
• Metabolite generation
• Fragmentation
  • FragmentStatistics
• Clustering
  • Molecular Descriptor Generation
  • Similarity Comparisons and Statistics
  • Jarvis-Patrick Clustering
  • Ward Clustering
  • Maximum Common Structure Based Hierarchical Clustering
  • Displaying Clustering Results
• License Management