How to use SmallWorld API - Revision history

Frodo: asdf

2024-05-31T23:31:23Z

asdf

← Older revision		Revision as of 23:31, 31 May 2024
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	[[Category: API]]		[[Category: API]]
	[[Category: ~~SmallWorld~~]]		[[Category: Smallworld]]
	[[Category: NextMove]]		[[Category: NextMove]]

Jgutierrez6: /* Advanced Usage */

2024-01-23T02:14:01Z

Advanced Usage

← Older revision		Revision as of 02:14, 23 January 2024
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	# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results		# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results
	#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>
	# Search of similar entries of 11 different molecules in ZINC-All-22Q2-1.6B.		# Search of similar entries of 12 different molecules in ZINC-All-22Q2-1.6B.
	#: <source> curl 'https://sw.docking.org/search/view?smi=c1ccccc1%20ONE&smi=Clc1ccccc1%20TWO&smi=C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O%20Three&smi=Oc3c(N=Nc1ccc(Br)cc1S(O)(=O)=O)c(S(O)(=O)=O)cc4cc(S(O)(=O)=O)c(N=Nc2ccc(Br)cc2S(O)(=O)=O)c(O)c34%20FOUR&smi=Nc5c(N=Nc4ccc(c3ccc(N=Nc2cc(S(O)(=O)=O)c1ccccc1c2N)cc3)cc4)cc(S(O)(=O)=O)c6ccccc56%20FIVE&smi=OC(=O)c1ccccc1C(c2cc(I)c(O)c(I)c2)=c3cc(I)c(=O)c(I)c3%20SIX&smi=Oc2cc(S(O)(=O)=O)c1ccccc1c2N=Nc4ccc3ccccc3c4O%20SEVEN&smi=Oc2ccc1ccccc1c2N=Nc3c(O)cc(S(O)(=O)=O)c4ccccc34%20Eight&smi=Cn1cnc2c1c(=O)n(c(=O)n2C)C%20NINE&smi=CCCCCCC(Oc3ccc(S(=O)(=O)c2ccc(OCc1ccccc1)cc2)cc3)C(O)=O%20TEN&smi=OC(=O)COc3ccc(N=Nc2ccc1cc(Br)ccc1c2O)cc3%20Eleven&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30' </source>		#: <source> curl 'https://sw.docking.org/search/view?smi=c1ccccc1%20ONE&smi=Clc1ccccc1%20TWO&smi=C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O%20Three&smi=Oc3c(N=Nc1ccc(Br)cc1S(O)(=O)=O)c(S(O)(=O)=O)cc4cc(S(O)(=O)=O)c(N=Nc2ccc(Br)cc2S(O)(=O)=O)c(O)c34%20FOUR&smi=Nc5c(N=Nc4ccc(c3ccc(N=Nc2cc(S(O)(=O)=O)c1ccccc1c2N)cc3)cc4)cc(S(O)(=O)=O)c6ccccc56%20FIVE&smi=OC(=O)c1ccccc1C(c2cc(I)c(O)c(I)c2)=c3cc(I)c(=O)c(I)c3%20SIX&smi=Oc2cc(S(O)(=O)=O)c1ccccc1c2N=Nc4ccc3ccccc3c4O%20SEVEN&smi=Oc2ccc1ccccc1c2N=Nc3c(O)cc(S(O)(=O)=O)c4ccccc34%20Eight&smi=Cn1cnc2c1c(=O)n(c(=O)n2C)C%20NINE&smi=CCCCCCC(Oc3ccc(S(=O)(=O)c2ccc(OCc1ccccc1)cc2)cc3)C(O)=O%20TEN&smi=OC(=O)COc3ccc(N=Nc2ccc1cc(Br)ccc1c2O)cc3%20Eleven&smi=C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O%20Twelve&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30' </source>

	==== Asynchronous Searching ====		==== Asynchronous Searching ====

Jgutierrez6: /* Multi-Start Search */

2024-01-23T02:12:14Z

Multi-Start Search

← Older revision		Revision as of 02:12, 23 January 2024
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	# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results		# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results
	#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>
			# Search of similar entries of 11 different molecules in ZINC-All-22Q2-1.6B.
			#: <source> curl 'https://sw.docking.org/search/view?smi=c1ccccc1%20ONE&smi=Clc1ccccc1%20TWO&smi=C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O%20Three&smi=Oc3c(N=Nc1ccc(Br)cc1S(O)(=O)=O)c(S(O)(=O)=O)cc4cc(S(O)(=O)=O)c(N=Nc2ccc(Br)cc2S(O)(=O)=O)c(O)c34%20FOUR&smi=Nc5c(N=Nc4ccc(c3ccc(N=Nc2cc(S(O)(=O)=O)c1ccccc1c2N)cc3)cc4)cc(S(O)(=O)=O)c6ccccc56%20FIVE&smi=OC(=O)c1ccccc1C(c2cc(I)c(O)c(I)c2)=c3cc(I)c(=O)c(I)c3%20SIX&smi=Oc2cc(S(O)(=O)=O)c1ccccc1c2N=Nc4ccc3ccccc3c4O%20SEVEN&smi=Oc2ccc1ccccc1c2N=Nc3c(O)cc(S(O)(=O)=O)c4ccccc34%20Eight&smi=Cn1cnc2c1c(=O)n(c(=O)n2C)C%20NINE&smi=CCCCCCC(Oc3ccc(S(=O)(=O)c2ccc(OCc1ccccc1)cc2)cc3)C(O)=O%20TEN&smi=OC(=O)COc3ccc(N=Nc2ccc1cc(Br)ccc1c2O)cc3%20Eleven&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30' </source>

	==== Asynchronous Searching ====		==== Asynchronous Searching ====
	# Search of similar entries to benzene in ZINC-All-22Q2-1.6B. Show 3 results that are within distance 1~2. Use an asynchronous query.		# Search of similar entries to benzene in ZINC-All-22Q2-1.6B. Show 3 results that are within distance 1~2. Use an asynchronous query.

Jgutierrez6 at 00:59, 23 January 2024

2024-01-23T00:59:39Z

@@ Line 111: / Line 111: @@
 | string
 | Interpret a single SMILES query with multiple components as a multi-source (ms) search.
 |-
 |}

Jgutierrez6: /* /search/view */

2024-01-23T00:56:08Z

/search/view

← Older revision		Revision as of 00:56, 23 January 2024
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	\| string		\| string
	\| Format of results: tsv,csv		\| Format of results: tsv,csv
			\|-
			\| start
			\| integer
			\| Number of hits returned starting from this index
			\|-
			\| length
			\| integer
			\| Number of total hits returned
	\|-		\|-
	\| scores		\| scores

Jgutierrez6: /* Asynchronous Searching */

2024-01-23T00:44:40Z

Asynchronous Searching

@@ Line 193: / Line 193: @@
 #: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>
 ==== Asynchronous Searching ====
-# Search of similar entries to benzene in ZINC-All-22Q2-1.6B. Show 5 results that are within distance 1~2. Use an asynchronous query.
+# Search of similar entries to benzene in ZINC-All-22Q2-1.6B. Show 3 results that are within distance 1~2. Use an asynchronous query.
-#:<source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B&start=0&length=5&dist=1-2&async=true" | jq </source>
+#:<source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B&start=0&length=2&dist=1-2&async=true" | jq </source>
 #* When running asynchronous searches it is useful to use the JSON output as this reports what the search is doing in the background
 #* After calling once the server will return right away and you will see something like:
@@ Line 295: / Line 295: @@
 .0,
 .07692307692307693,
 ,

Jgutierrez6: /* Examples */

2024-01-23T00:43:05Z

Examples

Show changes

Jgutierrez6: /* Examples */

2024-01-22T23:59:17Z

Examples

← Older revision		Revision as of 23:59, 22 January 2024
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	== /search/view ==		== /search/view ==
	# Search of similar entries to benzene in ZINC-All-22Q2-1.6B		# Search of similar entries to benzene in ZINC-All-22Q2-1.6B
	#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B" </source>
	# Search of similar entries to pyridine in ZINC-All-22Q2-1.6B. Display in TSV. Show results from 0 to 50		# Search of similar entries to pyridine in ZINC-All-22Q2-1.6B. Display in TSV. Show results from 0 to 50
	#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B&fmt=tsv&start=0&length=50" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&db=ZINC-All-22Q2-1.6B&fmt=tsv&start=0&length=50" </source>
	# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Display in TSV. Only show top 20 results.		# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Display in TSV. Only show top 20 results.
	#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&smi=Clc1ccccc1&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30&top=20" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1&smi=Clc1ccccc1&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30&top=20" </source>
	# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results		# Search of similar entries to either benzene or the chlorobenzene in ZINC-All-22Q2-1.6B. Tagging which molecule the similarity is closest to. Display in TSV. Display 30 results
	#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>		#: <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>

Jgutierrez6 at 23:57, 22 January 2024

2024-01-22T23:57:02Z

Show changes

Jgutierrez6: /* Examples */

2024-01-22T23:54:27Z

Examples

← Older revision		Revision as of 23:54, 22 January 2024
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	#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>		#* <source> curl "https://sw.docking.org/search/view?smi=c1ccccc1%20benzene&smi=Clc1ccccc1%20chlorobenzene&db=ZINC-All-22Q2-1.6B&fmt=tsv&length=30" </source>

	==Example Request==		=Example Request=
	Suppose you want to search for c1ccccc1 in the ZINC-Interesting-297K Database: There are two steps. The first step which involves /search/submit returns a stream of events that report the hit list id or hlid. This hlid is required to fetch results using the other options such as /search/view		Suppose you want to search for c1ccccc1 in the ZINC-Interesting-297K Database: There are two steps. The first step which involves /search/submit returns a stream of events that report the hit list id or hlid. This hlid is required to fetch results using the other options such as /search/view