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 | ||
label |
Virtual screening |
|
prefixIRI |
operation_3938 |
|
prefLabel |
Virtual screening |
|
subClassOf |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://edamontology.org/operation_3938 | ITO | SAME_URI | |
http://purl.obolibrary.org/obo/TEMP#251020000261 | SIMM | LOOM | |
http://chem.deri.ie/granatum#VirtualScreening | CANCO | LOOM | |
http://edamontology.org/operation_3938 | ITO | LOOM | |
http://www.bioassayontology.org/bao#BAO_0002364 | BAO | LOOM | |
http://scai.fraunhofer.de/HuPSON#SCAIVPH_00001227 | HUPSON | LOOM |