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Fingerprint

Term · Chemistry · MLC-T-CHM-013105

A representation of a compound, or of a chemical library, by a set of descriptors such as atom connectivities, three-dimensional structure or physical properties, often stored as a bit string for similarity searching in cheminformatics. In spectroscopy the word is also used for a characteristic spectrum, for example the infrared region below 1500 cm⁻¹, that identifies a compound. The two uses are unrelated, and the descriptor sense is the one used in structure-activity work.

Table 1. Record
IdentifierMLC-T-CHM-013105
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1735 (https://doi.org/10.1351/PAC-REC-12-11-23)
See alsoChemical library
Record as JSON
{
  "id": "MLC-T-CHM-013105",
  "term": "Fingerprint",
  "field": "Chemistry",
  "definition": "A representation of a compound, or of a chemical library, by a set of descriptors such as atom connectivities, three-dimensional structure or physical properties, often stored as a bit string for similarity searching in cheminformatics. In spectroscopy the word is also used for a characteristic spectrum, for example the infrared region below 1500 cm⁻¹, that identifies a compound. The two uses are unrelated, and the descriptor sense is the one used in structure-activity work.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "chemical library"
  ],
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1735 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/fingerprint/"
}

Record 4,700 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.