Welcome: ChemMine Tools Help and Tutorials

ChemMine Tools is a free online service for analyzing and clustering small molecules by structural similarities, physicochemical properties or custom data types. This tutorial introduces the functionalities, data formats, methods and algorithms of this web service.

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  1. General Functionality
  2. Compound Import, Viewing, and Format Interconversions
  3. Similarity Searching
  4. Similarity Comparisons
  5. Clustering and Data Mining
  6. Molecular Property Predictions
  7. Interacting with ChemMine Tools from R
  8. Drug-Target Search
  9. Theory: Descriptors, Similarity Measures, and Clustering Schemes
  10. For Developers: Contribute a new tool