MLchartDataset catalogue

Structure-data format file

Term · Chemistry · MLC-T-CHM-011501

A chemical file format that contains information for one or more molecules, including 2D or 3D atomic coordinates and associated data fields. Each molecular entry is separated by a specific delimiter. The format, also known as an SD file or SDF, is widely used in cheminformatics for storing and exchanging chemical libraries and their properties, such as biological activity data or calculated descriptors.

Table 1. Record
IdentifierMLC-T-CHM-011501
FieldChemistry
SubjectChemistry and Human Health
SynonymsSDF file; SDfile
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 256 (https://doi.org/10.1515/pac-2012-1204)
Record as JSON
{
  "id": "MLC-T-CHM-011501",
  "term": "Structure-data format file",
  "field": "Chemistry",
  "definition": "A chemical file format that contains information for one or more molecules, including 2D or 3D atomic coordinates and associated data fields. Each molecular entry is separated by a specific delimiter. The format, also known as an SD file or SDF, is widely used in cheminformatics for storing and exchanging chemical libraries and their properties, such as biological activity data or calculated descriptors.",
  "synonyms": [
    "SDF file",
    "SDfile"
  ],
  "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 256 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/structure-data-format-file/"
}

Record 12,248 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.