1D structure
Copy
https://doi.org/10.1351/goldbook.11396
The structure of a molecule encoded into a string such as
SMILES
or
InChI
.
Source:
PAC, 2016,
88
, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)