MLchartDataset catalogue

Cheminformatics

Term · Chemistry · MLC-T-CHM-001985

The application of computational and informational techniques to solve problems in chemistry, particularly in the areas of drug discovery and materials science. This field involves the use of computers to store, index, search, retrieve, analyze, and predict the properties of chemical compounds. It integrates aspects of chemistry, computer science, and information science.

Table 1. Record
IdentifierMLC-T-CHM-001985
FieldChemistry
SubjectChemistry and Human Health
Synonymschemoinformatics
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 243 (https://doi.org/10.1515/pac-2012-1204)
See alsoData mining; Machine learning
Record as JSON
{
  "id": "MLC-T-CHM-001985",
  "term": "Cheminformatics",
  "field": "Chemistry",
  "definition": "The application of computational and informational techniques to solve problems in chemistry, particularly in the areas of drug discovery and materials science. This field involves the use of computers to store, index, search, retrieve, analyze, and predict the properties of chemical compounds. It integrates aspects of chemistry, computer science, and information science.",
  "synonyms": [
    "chemoinformatics"
  ],
  "subject": "Chemistry and Human Health",
  "see_also": [
    "data mining",
    "machine learning"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 243 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/cheminformatics/"
}

Record 2,127 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.