De novo design

{
  "id": "MLC-T-CHM-002877",
  "term": "De novo design",
  "field": "Chemistry",
  "definition": "A computational approach in drug discovery that involves constructing novel molecular structures from scratch, rather than modifying existing compounds. This method uses algorithms to assemble molecular fragments or atoms based on desired properties and interactions with a target protein. The goal is to generate compounds with optimal binding affinity and pharmacological profiles.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "algorithm"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 245 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/de-novo-design/"
}