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


= 1. Number(s) =
= 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:


  e.g. zinc:32768 and 32768 and 32768+55535+7   and  3933993*  ; are all supported
  e.g. (All are supported)
      zinc:32768
      32768
      32768 55535 7


{{TOCright}}
{{TOCright}}


= 2. Number-Number-Number =  
= 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. (All are supported)
      cas:5-6-10
      6-54-2
      3-5-6 3-4-2


= 3. SMILES and SMARTS =
= 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:


Optionally after SMILES (SMARTS) add identical, exact, substructure, 80% or 0.8 (or any value) for corresponding searches.
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
  e.g. (All are supported)
      smiles:O=C1CCN1 substructure
      smiles:O=C1CCN1 77%
      C1CCNCC1 exact


= 4. Name =
= 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.  (All are supported)
      drug:cetirizine
      drug:*pram
      ibuprofen


= 5. Target =
= 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. (All are supported)
      target:5ht1a*       
      target:hdac*
      target:DRD2_HUMAN
      DRD2_HUMAN
      target:Q2LFS1


= 6. Catalog =
= 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:


  e.g. ChemBridge   and catalog:Enamine ;  are all supported
  e.g. (All are supported)
      ChemBridge
      catalog:Enamine
      catalog:asin


Attempt to interpret as a catalog code, optionally prefixed with catalog name. Thus
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.
  e.g. (All are supported)
      ChemBridge T12345
      vendor:ChemBridge T12345
      Enamine 194394*
      vendor:12345 (any compound called 12345 by any vendor)
 
 
[[Category:ZINC15]]
[[Category:Documentation]]

Latest revision as of 18:00, 2 May 2024

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. (All are supported)
     zinc:32768
     32768
     32768 55535 7

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. (All are supported)
      cas:5-6-10
      6-54-2
      3-5-6 3-4-2

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. (All are supported)
     smiles:O=C1CCN1 substructure
     smiles:O=C1CCN1 77%  
     C1CCNCC1 exact

Name

Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug:

e.g.  (All are supported)
      drug:cetirizine
      drug:*pram
      ibuprofen

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. (All are supported)
     target:5ht1a*       
     target:hdac*
     target:DRD2_HUMAN
     DRD2_HUMAN
     target:Q2LFS1

Catalog

Attempt to interpret as catalog name. To force this behavior, prefix with catalog:

e.g. (All are supported)
     ChemBridge
     catalog:Enamine
     catalog:asin

Attempt to interpret as a catalog code, optionally prefixed with catalog name. Thus

e.g. (All are supported)
     ChemBridge T12345
     vendor:ChemBridge T12345
     Enamine 194394*
     vendor:12345 (any compound called 12345 by any vendor)