Quick Search Bar - Revision history

Frodo: asdf

2024-05-02T18:00:34Z

asdf

← Older revision		Revision as of 18:00, 2 May 2024
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	[[Category:~~DOCK Blaster~~]]		[[Category:ZINC15]]
	[[Category:~~Docking~~]]		[[Category:Documentation]]

Frodo at 04:11, 14 February 2014

2014-02-14T04:11:49Z

← Older revision		Revision as of 04:11, 14 February 2014
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	Enamine 194394*		Enamine 194394*
	vendor:12345 (any compound called 12345 by any vendor)		vendor:12345 (any compound called 12345 by any vendor)


			[[Category:DOCK Blaster]]
			[[Category:Docking]]

Therese: 13 revisions

2012-10-08T20:32:22Z

13 revisions

New page

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

{{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:

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)

Frodo at 01:55, 23 February 2012

2012-02-23T01:55:39Z

← Older revision		Revision as of 01:55, 23 February 2012
Line 3:		Line 3:
	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:

Line 10:		Line 10:
	{{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. cas:5-6-10 and 6-54-2 and 3-5-6+3-4-2 ; are all supported

	= 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:

Line 22:		Line 22:
	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

	= 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. drug:cetirizine and drug:*pram and ibuprofen ; are all supported

	= 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. target:5ht1a* and hdac* and DRD2_HUMAN and Q2LFS1 ; are all supported

	= 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:

Frodo at 01:55, 23 February 2012

2012-02-23T01:55:20Z

← Older revision		Revision as of 01:55, 23 February 2012
Line 3:		Line 3:
	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
Line 10:		Line 10:
	{{TOCright}}		{{TOCright}}

	= 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.

Frodo at 01:54, 23 February 2012

2012-02-23T01:54:04Z

← Older revision		Revision as of 01:54, 23 February 2012
Line 7:		Line 7:

	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

			{{TOCright}}

	= Number-Number-Number =		= Number-Number-Number =

Frodo at 01:53, 23 February 2012

2012-02-23T01:53:37Z

← Older revision		Revision as of 01:53, 23 February 2012
Line 1:		Line 1:
	~~We interpret the~~ text ~~in the quick search bar in the following order~~. Wildcards are supported		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) =
	1) If it is a number, interpret as a ZINC ID. To force this behavior, prefix with zinc:		1) 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

			= 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:		2) 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) If it is a valid SMILES, interpret as "90% similar to". To force this behavior, prefix with smiles:		3) 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.		3a) Optionally after SMILES (SMARTS) add identical, exact, substructure, 80% or 0.8 (or any value) for corresponding searches.
Line 14:		Line 19:
	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) Attempt to interpret as name of molecule. To force this behavior, prefix with name: or drug:		4) 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) Attempt to interpret as target name. Uniprot and SwissProt codes as well as target names are supported. To force this behavior, prefix with 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:

	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) Attempt to interpret as catalog name. To force this behavior, prefix with catalog:		6) 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 ~~vendor~~ code, optionally prefixed with ~~vendor~~ name. Thus		6a) 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.

Frodo at 00:18, 23 February 2012

2012-02-23T00:18:21Z

← Older revision		Revision as of 00:18, 23 February 2012
Line 1:		Line 1:
	~~= Quick Search Bar =~~

	We interpret the text in the quick search bar in the following order. Wildcards are supported		We interpret the text in the quick search bar in the following order. Wildcards are supported

Frodo at 00:10, 23 February 2012

2012-02-23T00:10:16Z

New page

= Quick Search Bar =

We interpret the text in the quick search bar in the following order. Wildcards are supported

1) 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) 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) 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.

e.g. smiles:O=C1CCN1 substructure and smiles:O=C1CCN1 77% and C1CCNCC1 exact ; are all supported

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

e.g. ChemBridge and catalog:Enamine ; are all supported

6a) Attempt to interpret as vendor code, optionally prefixed with vendor 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.