MLchartDataset catalogue

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.

Table 1. Record
IdentifierMLC-T-CHM-008542
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 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 alsoDaylight 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/"
}

Record 9,075 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.