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  1. Article

    Open Access

    Small Molecule Subgraph Detector (SMSD) toolkit

    Finding one small molecule (query) in a large target library is a challenging task in computational chemistry. Although several heuristic approaches are available using fragment-based chemical similarity searc...

    Syed Asad Rahman, Matthew Bashton, Gemma L Holliday… in Journal of Cheminformatics (2009)

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