scoring

https://doi.org/10.1351/goldbook.11508
A mathematical formula that estimates the binding affinity of a ligand to a macromolecular target based on the structure of the complex.
Note: Scoring is used to select poses and to rank compounds in docking.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 255 [Terms] [Paper]
Citation: 'scoring' 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.11508 RIS BibTex EndNote
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