Computer-assisted molecular design

{
  "id": "MLC-T-CHM-002352",
  "term": "Computer-assisted molecular design",
  "field": "Chemistry",
  "definition": "The use of computational techniques to conceive and develop molecules with specific desired properties or functions. This involves simulating molecular structures and their interactions to predict behavior and guide the synthesis of new compounds. It is widely applied in materials science, catalysis, and drug discovery to accelerate the design process.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "molecular design"
  ],
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1141 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/computer-assisted-molecular-design/"
}