MLchartDataset catalogue

ISIS keys

Term · Chemistry · MLC-T-CHM-006166

A set of predefined structural fragments or patterns used to represent chemical structures in a binary format for efficient substructure searching and similarity comparisons in chemical databases. These keys are generated by identifying the presence or absence of specific structural features within a molecule. They are widely employed in cheminformatics for rapid screening of large compound libraries.

Table 1. Record
IdentifierMLC-T-CHM-006166
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 248 (https://doi.org/10.1515/pac-2012-1204)
See alsoSubstructure searching; 2D quantitative structure-activity relationships; Fragment keys; Similarity searching
Record as JSON
{
  "id": "MLC-T-CHM-006166",
  "term": "ISIS keys",
  "field": "Chemistry",
  "definition": "A set of predefined structural fragments or patterns used to represent chemical structures in a binary format for efficient substructure searching and similarity comparisons in chemical databases. These keys are generated by identifying the presence or absence of specific structural features within a molecule. They are widely employed in cheminformatics for rapid screening of large compound libraries.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "substructure searching",
    "2D quantitative structure-activity relationships",
    "fragment keys",
    "similarity searching"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 248 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/isis-keys/"
}

Record 6,543 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.