MLchartDataset catalogue

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.

Table 1. Record
IdentifierMLC-T-CHM-002083
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 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 alsoMolecular 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/"
}

Record 2,231 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.