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.
| Identifier | MLC-T-CHM-013105 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| 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) |
| See also | Chemical 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.