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.
| Identifier | MLC-T-CHM-006166 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| 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) |
| See also | Substructure 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/"
}
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