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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…In medicinal chemistry, they are the basis for analyzing ligand–biomacromolecule interactions. Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”
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    Raw data. by Honglei Pang (22693724)

    Published 2025
    Subjects:
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    Code program. by Honglei Pang (22693724)

    Published 2025
    Subjects:
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