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) =
= 1. Number(s) =
1) 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. zinc:32768 and 32768 and 32768+55535+7  and  3933993*  ; are all supported
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= Number-Number-Number =  
= 2. Number-Number-Number =  
2) 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 =
= 3. SMILES and SMARTS =
3) 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:
3a) 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. smiles:O=C1CCN1 substructure    and    smiles:O=C1CCN1 77%    and  C1CCNCC1 exact    ; are all supported


= Name =
= 4. Name =
4) 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 =
= 5. Target =
5) 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 =
= 6. Catalog =
6) 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. ChemBridge    and catalog:Enamine  ;  are all supported


6a) 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. ChemBridge T12345    and Enamine 194394*    and    vendor 12345 ; are all supported. In the last case, any compound called 12345 by any vendor.

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

1. 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

2. 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

3. 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

4. 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

5. 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

6. 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.