Circular fingerprints
Term · Chemistry · MLC-T-CHM-002083
A type of molecular fingerprint that encodes structural information about a chemical compound by iteratively expanding from each atom to its neighbors within a defined radius. These fingerprints capture local atomic environments and are commonly used in cheminformatics for tasks such as similarity searching and machine learning model development. Extended Connectivity Fingerprints (ECFPs) are a widely used example.
| Identifier | MLC-T-CHM-002083 |
|---|---|
| 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 243 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Molecular fingerprints; Path fingerprints; Structural keys |
Record as JSON
{
"id": "MLC-T-CHM-002083",
"term": "Circular fingerprints",
"field": "Chemistry",
"definition": "A type of molecular fingerprint that encodes structural information about a chemical compound by iteratively expanding from each atom to its neighbors within a defined radius. These fingerprints capture local atomic environments and are commonly used in cheminformatics for tasks such as similarity searching and machine learning model development. Extended Connectivity Fingerprints (ECFPs) are a widely used example.",
"subject": "Chemistry and Human Health",
"see_also": [
"molecular fingerprints",
"path fingerprints",
"structural keys"
],
"references": [
"PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 243 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/circular-fingerprints/"
}
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