MLchartDataset catalogue

International Chemical Identifier

Term · Chemistry · MLC-T-CHM-005975

A non-proprietary, machine-readable string of characters that provides a unique and unambiguous identification for a chemical substance. Developed by IUPAC, the International Chemical Identifier (InChI) is generated algorithmically from a molecule's structural information, allowing it to be precisely defined without relying on proprietary naming conventions. The standard InChI string is organized into layers representing connectivity, stereochemistry, and isotopic composition.

Table 1. Record
IdentifierMLC-T-CHM-005975
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)
Record as JSON
{
  "id": "MLC-T-CHM-005975",
  "term": "International Chemical Identifier",
  "field": "Chemistry",
  "definition": "A non-proprietary, machine-readable string of characters that provides a unique and unambiguous identification for a chemical substance. Developed by IUPAC, the International Chemical Identifier (InChI) is generated algorithmically from a molecule's structural information, allowing it to be precisely defined without relying on proprietary naming conventions. The standard InChI string is organized into layers representing connectivity, stereochemistry, and isotopic composition.",
  "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)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/international-chemical-identifier/"
}

Record 6,343 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.