Showing 1 - 20 results of 5,882 for search '(( algorithms within function ) OR ( ((algorithm python) OR (algorithm _)) function ))*', query time: 0.29s Refine Results
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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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    Study proposed algorithm. by Ainhoa Pérez-Guerrero (21377457)

    Published 2025
    Subjects: “…assess microvascular function…”
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