Computer-assisted molecular modeling

Term · Chemistry · MLC-T-CHM-002353

The use of computational methods to generate, manipulate, and visualize three-dimensional representations of molecules and their interactions. This technique allows chemists to study molecular structures, predict their properties, and simulate their behavior under different conditions. It is a tool in computational chemistry for understanding chemical phenomena at an atomic level.

Table 1. Record
Identifier	MLC-T-CHM-002353
Field	Chemistry
Subject	Chemistry and Human Health
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)
See also	Computational chemistry; Molecular modeling

Record as JSON

{
  "id": "MLC-T-CHM-002353",
  "term": "Computer-assisted molecular modeling",
  "field": "Chemistry",
  "definition": "The use of computational methods to generate, manipulate, and visualize three-dimensional representations of molecules and their interactions. This technique allows chemists to study molecular structures, predict their properties, and simulate their behavior under different conditions. It is a tool in computational chemistry for understanding chemical phenomena at an atomic level.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "computational chemistry",
    "molecular modeling"
  ],
  "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-modeling/"
}

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