Daylight fingerprints
Term · Chemistry · MLC-T-CHM-002875
A type of molecular fingerprint used in cheminformatics to represent chemical structures as bit strings. These fingerprints are generated by traversing all possible paths of a certain length within a molecule and hashing them into a fixed-length binary vector. They are widely employed for similarity searching, clustering, and machine learning applications in drug discovery.
| Identifier | MLC-T-CHM-002875 |
|---|---|
| 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 245 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Path fingerprints; Hashing |
Record as JSON
{
"id": "MLC-T-CHM-002875",
"term": "Daylight fingerprints",
"field": "Chemistry",
"definition": "A type of molecular fingerprint used in cheminformatics to represent chemical structures as bit strings. These fingerprints are generated by traversing all possible paths of a certain length within a molecule and hashing them into a fixed-length binary vector. They are widely employed for similarity searching, clustering, and machine learning applications in drug discovery.",
"subject": "Chemistry and Human Health",
"see_also": [
"path fingerprints",
"hashing"
],
"references": [
"PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 245 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/daylight-fingerprints/"
}
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