Quick Search Bar: Difference between revisions
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The input is interpreted as follows. Wildcards are supported | The input is interpreted as follows. Wildcards are supported | ||
= | = Number(s) = | ||
If it is a number, interpret as a ZINC ID. To force this behavior, prefix with zinc: | If it is a number, interpret as a ZINC ID. To force this behavior, prefix with zinc: | ||
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{{TOCright}} | {{TOCright}} | ||
= | = Number-Number-Number = | ||
If it is of the form number-number-number, interpret as a CAS number. For force this behavior, prefix with cas: | If it is of the form number-number-number, interpret as a CAS number. For force this behavior, prefix with cas: | ||
e.g. cas:5-6-10 and 6-54-2 and 3-5-6+3-4-2 ; are all supported | e.g. cas:5-6-10 and 6-54-2 and 3-5-6+3-4-2 ; are all supported | ||
= | = SMILES and SMARTS = | ||
If it is a valid SMILES, interpret as "90% similar to". To force this behavior, prefix with smiles: | If it is a valid SMILES, interpret as "90% similar to". To force this behavior, prefix with smiles: | ||
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e.g. smiles:O=C1CCN1 substructure and smiles:O=C1CCN1 77% and C1CCNCC1 exact ; are all supported | e.g. smiles:O=C1CCN1 substructure and smiles:O=C1CCN1 77% and C1CCNCC1 exact ; are all supported | ||
= | = Name = | ||
Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug: | Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug: | ||
e.g. drug:cetirizine and drug:*pram and ibuprofen ; are all supported | e.g. drug:cetirizine and drug:*pram and ibuprofen ; are all supported | ||
= | = Target = | ||
Attempt to interpret as target name. Uniprot and SwissProt codes as well as target names are supported. To force this behavior, prefix with target: | Attempt to interpret as target name. Uniprot and SwissProt codes as well as target names are supported. To force this behavior, prefix with target: | ||
e.g. target:5ht1a* and hdac* and DRD2_HUMAN and Q2LFS1 ; are all supported | e.g. target:5ht1a* and hdac* and DRD2_HUMAN and Q2LFS1 ; are all supported | ||
= | = Catalog = | ||
Attempt to interpret as catalog name. To force this behavior, prefix with catalog: | Attempt to interpret as catalog name. To force this behavior, prefix with catalog: | ||
Revision as of 01:55, 23 February 2012
The Quick Search Bar may be used to enter free-form text to query ZINC. The goal is to offer fast google-like simplicity. The input is interpreted as follows. Wildcards are supported
Number(s)
If it is a number, interpret as a ZINC ID. To force this behavior, prefix with zinc:
e.g. zinc:32768 and 32768 and 32768+55535+7 and 3933993* ; are all supported
Number-Number-Number
If it is of the form number-number-number, interpret as a CAS number. For force this behavior, prefix with cas:
e.g. cas:5-6-10 and 6-54-2 and 3-5-6+3-4-2 ; are all supported
SMILES and SMARTS
If it is a valid SMILES, interpret as "90% similar to". To force this behavior, prefix with smiles:
Optionally after SMILES (SMARTS) add identical, exact, substructure, 80% or 0.8 (or any value) for corresponding searches.
e.g. smiles:O=C1CCN1 substructure and smiles:O=C1CCN1 77% and C1CCNCC1 exact ; are all supported
Name
Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug:
e.g. drug:cetirizine and drug:*pram and ibuprofen ; are all supported
Target
Attempt to interpret as target name. Uniprot and SwissProt codes as well as target names are supported. To force this behavior, prefix with target:
e.g. target:5ht1a* and hdac* and DRD2_HUMAN and Q2LFS1 ; are all supported
Catalog
Attempt to interpret as catalog name. To force this behavior, prefix with catalog:
e.g. ChemBridge and catalog:Enamine ; are all supported
Attempt to interpret as a catalog code, optionally prefixed with catalog name. Thus
e.g. ChemBridge T12345 and Enamine 194394* and vendor 12345 ; are all supported. In the last case, any compound called 12345 by any vendor.