Similarity ensemble approach

{
  "id": "MLC-T-CHM-013559",
  "term": "Similarity ensemble approach",
  "field": "Chemistry",
  "definition": "A computational method for predicting new biological targets for a molecule of interest by comparing it to large sets of known active compounds. The approach evaluates the similarity of the query molecule not just to individual ligands but to ensembles of ligands known to bind to specific protein targets. A statistical score, such as an expectation value (E-value), is calculated to assess the significance of the predicted molecule-target associations, with lower scores indicating a higher probability of a true interaction.",
  "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/similarity-ensemble-approach/"
}