molecular fingerprints

https://doi.org/10.1351/goldbook.11474

Descriptions of the structure of a molecule calculated from the properties of each of its atoms and bonds that are then usually condensed into a fixed-length string by a hashing algorithm.

See also: circular fingerprints, Daylight fingerprints, extended connectivity fingerprints, functional class fingerprints, path fingerprints
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 250 (https://doi.org/10.1515/pac-2012-1204)