ZINC26 - Revision history

Khtang: /* Step 1 : Check available databases/categories/catalogs */

2026-08-12T22:30:52Z

Step 1 : Check available databases/categories/catalogs

← Older revision		Revision as of 22:30, 12 August 2026
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	* Command		* Command
	curl "https://zinc26.docking.org/sw/maps"		curl "https://zinc26.docking.org/sw/maps"

	* Response:		* Response:
	{"Bioactive":		{"Bioactive":

Khtang: /* Step 1 : Login and get token */

2026-08-12T22:30:36Z

Step 1 : Login and get token

← Older revision		Revision as of 22:30, 12 August 2026
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	-H "Content-Type: application/json" \		-H "Content-Type: application/json" \
	-d '{"email": "you@example.com", "password": "yourpassword"}'		-d '{"email": "you@example.com", "password": "yourpassword"}'

	==== Step 2 : Submit a job ====		==== Step 2 : Submit a job ====
	* Command Option A — JSON (molecules array, up to 10):		* Command Option A — JSON (molecules array, up to 10):

Khtang: /* Batch Job search API */

2026-08-12T22:30:26Z

Batch Job search API

@@ Line 105: / Line 105: @@
 === Batch Job search API ===
+==== Step 3 : Check job status ====
 == Coming soon ==

Khtang: /* Step 2 : Submit a search */

2026-08-12T22:23:56Z

Step 2 : Submit a search

← Older revision		Revision as of 22:23, 12 August 2026
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	curl "https://zinc26.docking.org/arthor/search?type=substructure&database=Bioact&category=inVivo&catalog=dball&query=CCO&ringLocked=true&chainLocked=true&propertiesLocked=true"		curl "https://zinc26.docking.org/arthor/search?type=substructure&database=Bioact&category=inVivo&catalog=dball&query=CCO&ringLocked=true&chainLocked=true&propertiesLocked=true"
	* SMARTS search:		* SMARTS search:
	curl "https://zinc26.docking.org/arthor/search?type=smarts&database=Bioact&category=inVivo&catalog=dball&~~query~~=~~%5B%23六%5D~~"		curl "https://zinc26.docking.org/arthor/search?type=smarts&database=Bioact&category=inVivo&catalog=dball&ringLocked=true&chainLocked=true&propertiesLocked=true"

	Required parameters:		Required parameters:
	- type — similarity, substructure, or smarts		- type — similarity, substructure, or smarts

Khtang: /* Step 2 : Submit a search */

2026-08-12T22:22:45Z

Step 2 : Submit a search

← Older revision		Revision as of 22:22, 12 August 2026
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	curl "https://zinc26.docking.org/arthor/search?type=substructure&database=Bioact&category=inVivo&catalog=dball&query=CCO&ringLocked=true&chainLocked=true&propertiesLocked=true"		curl "https://zinc26.docking.org/arthor/search?type=substructure&database=Bioact&category=inVivo&catalog=dball&query=CCO&ringLocked=true&chainLocked=true&propertiesLocked=true"
	* SMARTS search:		* SMARTS search:
	curl "https://~~<host>/api~~/arthor/search?type=smarts&database=Bioact&category=inVivo&catalog=dball&query=%5B%23六%5D"		curl "https://zinc26.docking.org/arthor/search?type=smarts&database=Bioact&category=inVivo&catalog=dball&query=%5B%23六%5D"
	Required parameters:		Required parameters:
	- type — similarity, substructure, or smarts		- type — similarity, substructure, or smarts
Line 88:		Line 88:
	* Response		* Response
	{"task_id": "abc-123", "status": "PENDING"}		{"task_id": "abc-123", "status": "PENDING"}

	==== Step 3 : Check for results ====		==== Step 3 : Check for results ====
	* Command		* Command

Khtang at 22:19, 12 August 2026

2026-08-12T22:19:34Z

@@ Line 19: / Line 19: @@
+     }
+  }
 ==== Step 2 : Submit a search ====
@@ Line 60: / Line 58: @@
 === Arthor search API ===
 === Batch Job search API ===

Khtang: /* Step 2 : Submit a search */

2026-08-12T22:03:24Z

Step 2 : Submit a search

← Older revision		Revision as of 22:03, 12 August 2026
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	- catalog — e.g. dball (from /sw/maps)		- catalog — e.g. dball (from /sw/maps)
	- smiles — your query molecule in SMILES notation		- smiles — your query molecule in SMILES notation
	Optional distance parameters ~~(all default to 0 or 4)~~:		Optional distance parameters:
	- ced — chemical edit distance (default 4)		- ced — chemical edit distance (0 to 4, default to 4)
	- ged — graph edit distance (default 4)		- ged — graph edit distance (0 to 2, default to 2)
	- terminalUp, terminalDown, ringUp, ringDown, linkerUp, linkerDown		- terminalUp (0 to 8, default to 4)
	- mutationMajor, mutationMinor, hybridisation, substitution		- terminalDown (0 to 8, default to 4)
			- ringUp (0 to 8, default to 2)
			- ringDown (0 to 8, default to 2)
			- linkerUp (0 to 8, default to 2)
			- linkerDown (0 to 8, default to 2)
			- mutationMajor (0 to 8, default to 4)
			- mutationMinor (0 to 8, default to 4)
			- hybridisation (0 to 8, default to 4)
			- substitution (0 to 8, default to 4)

	* Response:		* Response:
	{"task_id": "abc-123", "status": "PENDING"}		{"task_id": "abc-123", "status": "PENDING"}

	==== Step 3 : Check for results ====		==== Step 3 : Check for results ====
	* Command		* Command

Khtang at 21:59, 12 August 2026

2026-08-12T21:59:09Z

← Older revision		Revision as of 21:59, 12 August 2026
Line 9:		Line 9:
	* zinc26.docking.org/docs describes how to use. Here is a short tutorial to get you started using curl		* zinc26.docking.org/docs describes how to use. Here is a short tutorial to get you started using curl
	=== SW search API ===		=== SW search API ===
	1. Check available databases/categories/catalogs		==== Step 1 : Check available databases/categories/catalogs ====
	* Command		* Command
	curl "https://zinc26.docking.org/sw/maps"		curl "https://zinc26.docking.org/sw/maps"
Line 22:		Line 22:


	2. Submit a search		==== Step 2 : Submit a search ====
	* Command		* Command
	curl "https://zinc26.docking.org/sw/search?database=Bioact&category=inVivo&catalog=dball&smiles=CCCCC&ced=4&ged=2&terminalUp=4&terminalDown=4&ringUp=2&ringDown=4&linkerUp=2&linkerDown=2&mutationMajor=4&mutationMinor=4&hybridisation=4&substitution=4&atomAlignment=true&multiSource=false"		curl "https://zinc26.docking.org/sw/search?database=Bioact&category=inVivo&catalog=dball&smiles=CCCCC&ced=4&ged=2&terminalUp=4&terminalDown=4&ringUp=2&ringDown=4&linkerUp=2&linkerDown=2&mutationMajor=4&mutationMinor=4&hybridisation=4&substitution=4&atomAlignment=true&multiSource=false"
Line 38:		Line 38:
	* Response:		* Response:
	{"task_id": "abc-123", "status": "PENDING"}		{"task_id": "abc-123", "status": "PENDING"}
	3. Check for results		==== Step 3 : Check for results ====
	* Command		* Command
	curl "https://zinc26.docking.org/sw/result?task_id=abc-123"		curl "https://zinc26.docking.org/sw/result?task_id=abc-123"

Khtang at 21:57, 12 August 2026

2026-08-12T21:57:27Z

← Older revision		Revision as of 21:57, 12 August 2026
Line 10:		Line 10:
	=== SW search API ===		=== SW search API ===
	1. Check available databases/categories/catalogs		1. Check available databases/categories/catalogs
			* Command
	curl "https://zinc26.docking.org/sw/maps"		curl "https://zinc26.docking.org/sw/maps"

	Response:		* Response:
	{"Bioactive":		{"Bioactive":
	{"inVitro":		{"inVitro":
Line 22:		Line 23:

	2. Submit a search		2. Submit a search
			* Command
	curl "https://zinc26.docking.org/sw/search?database=Bioact&category=inVivo&catalog=dball&smiles=CCCCC&ced=4&ged=2&terminalUp=4&terminalDown=4&ringUp=2&ringDown=4&linkerUp=2&linkerDown=2&mutationMajor=4&mutationMinor=4&hybridisation=4&substitution=4&atomAlignment=true&multiSource=false"		curl "https://zinc26.docking.org/sw/search?database=Bioact&category=inVivo&catalog=dball&smiles=CCCCC&ced=4&ged=2&terminalUp=4&terminalDown=4&ringUp=2&ringDown=4&linkerUp=2&linkerDown=2&mutationMajor=4&mutationMinor=4&hybridisation=4&substitution=4&atomAlignment=true&multiSource=false"
	Required parameters:		Required parameters:
Line 34:		Line 36:
	- mutationMajor, mutationMinor, hybridisation, substitution		- mutationMajor, mutationMinor, hybridisation, substitution

	Response:		* Response:
	{"task_id": "abc-123", "status": "PENDING"}		{"task_id": "abc-123", "status": "PENDING"}
	3. Check for results		3. Check for results
			* Command
	curl "https://zinc26.docking.org/sw/result?task_id=abc-123"		curl "https://zinc26.docking.org/sw/result?task_id=abc-123"
			* Response
	Poll this until status is SUCCESS (or FAILURE). While running it may return PROGRESS with partial results:		Poll this until status is SUCCESS (or FAILURE). While running it may return PROGRESS with partial results:
	{		{

Khtang at 21:53, 12 August 2026

2026-08-12T21:53:39Z

← Older revision		Revision as of 21:53, 12 August 2026
Line 7:		Line 7:

	== API ==		== API ==
	* zinc26.docking.org/docs describes how to use. Here is a short tutorial to get you started.		* zinc26.docking.org/docs describes how to use. Here is a short tutorial to get you started using curl
			=== SW search API ===
			1. Check available databases/categories/catalogs
			curl "https://zinc26.docking.org/sw/maps"

			Response:
			{"Bioactive":
			{"inVitro":
			["00chembl","mapsAADAC","mapsAADAT","mapsAAK1","mapsABAT"]
			}
			}



			2. Submit a search
			curl "https://zinc26.docking.org/sw/search?database=Bioact&category=inVivo&catalog=dball&smiles=CCCCC&ced=4&ged=2&terminalUp=4&terminalDown=4&ringUp=2&ringDown=4&linkerUp=2&linkerDown=2&mutationMajor=4&mutationMinor=4&hybridisation=4&substitution=4&atomAlignment=true&multiSource=false"
			Required parameters:
			- database — e.g. Purchasable, Bioact
			- category — e.g. inVivo (from /sw/maps)
			- catalog — e.g. dball (from /sw/maps)
			- smiles — your query molecule in SMILES notation
			Optional distance parameters (all default to 0 or 4):
			- ced — chemical edit distance (default 4)
			- ged — graph edit distance (default 4)
			- terminalUp, terminalDown, ringUp, ringDown, linkerUp, linkerDown
			- mutationMajor, mutationMinor, hybridisation, substitution

			Response:
			{"task_id": "abc-123", "status": "PENDING"}
			3. Check for results
			curl "https://zinc26.docking.org/sw/result?task_id=abc-123"

			Poll this until status is SUCCESS (or FAILURE). While running it may return PROGRESS with partial results:
			{
			"task_id": "abc-123",
			"status": "SUCCESS",
			"results": [...]
			}


			=== Arthor search API ===

			=== Batch Job search API ===