Path fingerprints
Term · Chemistry · MLC-T-CHM-008542
A type of molecular fingerprint that encodes the presence or absence of specific linear paths of atoms and bonds within a molecule. These paths are typically enumerated up to a certain length, providing a structural representation of the molecule. Path fingerprints are widely used in cheminformatics for similarity searching and machine learning applications.
| Identifier | MLC-T-CHM-008542 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| References | PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Daylight fingerprints; Circular fingerprints; Hashing; Structural keys |
Record as JSON
{
"id": "MLC-T-CHM-008542",
"term": "Path fingerprints",
"field": "Chemistry",
"definition": "A type of molecular fingerprint that encodes the presence or absence of specific linear paths of atoms and bonds within a molecule. These paths are typically enumerated up to a certain length, providing a structural representation of the molecule. Path fingerprints are widely used in cheminformatics for similarity searching and machine learning applications.",
"subject": "Chemistry and Human Health",
"see_also": [
"Daylight fingerprints",
"circular fingerprints",
"hashing",
"structural keys"
],
"references": [
"PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 252 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/path-fingerprints/"
}
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