SMIRKS

https://doi.org/10.1351/goldbook.11515

A derivative of the SMILES language that describes the transformation in a chemical reaction.

Examples: The hydrolysis of methyl formate is written "C(=O)OC>HOH>C(=O)O.OC".
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 257 [Terms] [Paper]
Citation: 'SMIRKS' 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.11515 RIS BibTex EndNote
Div. VIITextXMLJSON