Common Groups

Molecular structure-based classification of chemicals in known hazard groups.

Contents

• Introduction
  • Purpose
  • Frequently asked questions
• Design
  • General concepts
  • Methods for associating compounds with groups
  • Design of this program
  • Defining groups
  • References
• Database
  • Data sources
  • Constructing the database
  • Known limitations
• Installation
  • Step by step
  • Automated database instantiation
  • Next steps
• Usage
  • Running commongroups
  • Environments
  • Configuration
  • Google Sheets access
  • Reading parameters from a file
• Credits
• Developer reference
  • env - Environment
  • cmgroup - Compound group
  • query - Database queries
  • googlesheet - Google Sheets access
  • hypertext - Generating HTML output
  • ops - Batch operations
  • run - The run script
  • errors - Exceptions
  • tests - Tests

Indices and tables

• Index
• Module Index
• Search Page