substructure searching

https://doi.org/10.1351/goldbook.11521

A virtual screening method that uses a graph-based method to discover which molecules in a chemical structure database contain the substructure specified in the query.

Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 257 [Terms] [Paper]
Citation: 'substructure searching' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11521 RIS BibTex EndNote
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