Preferred Name

Virtual screening

Synonyms

Virtual ligand screening

Ligand-based virtual screening

Structured-based virtual screening

Structure-based screening

Ligand-based screening

Definitions

Virtual screening is used in drug discovery to identify potential drug compounds. It involves searching libraries of small molecules in order to identify those molecules which are most likely to bind to a drug target (typically a protein receptor or enzyme). Virtual screening is widely used for lead identification, lead optimization, and scaffold hopping during drug design and discovery.

ID

http://edamontology.org/operation_3938

comment

Virtual screening is widely used for lead identification, lead optimization, and scaffold hopping during drug design and discovery.

Created in

1.24

hasDefinition

Virtual screening is used in drug discovery to identify potential drug compounds. It involves searching libraries of small molecules in order to identify those molecules which are most likely to bind to a drug target (typically a protein receptor or enzyme).

hasNarrowSynonym

Virtual ligand screening

Ligand-based virtual screening

Structured-based virtual screening

Structure-based screening

Ligand-based screening

inSubset

http://edamontology.org/bio

http://edamontology.org/operations

label

Virtual screening

prefixIRI

operation_3938

prefLabel

Virtual screening

subClassOf

http://edamontology.org/operation_0482

http://edamontology.org/operation_4009

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