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CheminformaticsΒΆ

The recipes in this chapter solve various cheminformatics problems such as similarity search, ring perception and manipulating molecular graphs.

../_images/MolDatabasePerformanceComparison.png
../_images/searchfastfp-performance.png ../_images/searchfastfp.png
../_images/enumfrags.png
../_images/core-example.png
../_images/samering2img-01.png ../_images/samering2img-02.png ../_images/samering2img-03.png
../_images/enumsubstitutions-one.png ../_images/enumsubstitutions-two.png ../_images/enumsubstitutions-three.png ../_images/enumsubstitutions-four.png