smiles-identity-idlist

Created: 2010-07-16 09:50:50 Last updated: 2010-07-16 09:53:16

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Searches for similar structures in PubChem to an input SMILES string. This workflow was written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

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Workflow Components

Authors (1)

Titles (1)

Descriptions (1)

Dependencies (0)

Inputs (0)

Processors (14)

Name	Type	Description
GetIDList_in	xmlsplitter
eIdentity	stringconstant	Value eIdentity_SameConnectivity
structure	stringconstant	Value CCCCC
InputStructure_out	xmlsplitter
format	stringconstant	Value eFormat_SMILES
GetIDList	wsdl	Wsdl http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl Wsdl Operation GetIDList
InputStructure_in	xmlsplitter
IdentitySearch_in	xmlsplitter
IdentitySearch_out	xmlsplitter
InputStructure	wsdl	Wsdl http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl Wsdl Operation InputStructure
IdentitySearch_in_idOptions	xmlsplitter
GetIDList_out	xmlsplitter
IdentitySearch	wsdl	Wsdl http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl Wsdl Operation IdentitySearch
StatusCheck	workflow

Beanshells (1)

Name	Description	Inputs	Outputs
CheckForSuccess		status	success

Outputs (2)

Name	Description
output
Success

Datalinks (15)

Source	Sink
StatusCheck:KeyOut	GetIDList_in:ListKey
InputStructure:parameters	InputStructure_out:input
GetIDList_in:output	GetIDList:parameters
format:value	InputStructure_in:format
structure:value	InputStructure_in:structure
IdentitySearch_in_idOptions:output	IdentitySearch_in:idOptions
InputStructure_out:StrKey	IdentitySearch_in:StrKey
IdentitySearch:parameters	IdentitySearch_out:input
InputStructure_in:output	InputStructure:parameters
eIdentity:value	IdentitySearch_in_idOptions:eIdentity
GetIDList:parameters	GetIDList_out:input
IdentitySearch_in:output	IdentitySearch:parameters
IdentitySearch_out:ListKey	StatusCheck:KeyIn
GetIDList_out:IDList	output
StatusCheck:Success	Success

Coordinations (0)

Information Workflow Type

Taverna 2

Information Uploader

Peter Li

Information License

All versions of this Workflow are licensed under:

Information Version 1 (of 1)

Information Credits (1)

(People/Groups)

Peter Li

Information Attributions (0)

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None

Information Tags (3)

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Information Featured In Packs (1)

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Information Attributed By (0)

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Information Favourited By (0)

No one

Information Statistics

1846 viewings

1682 downloads

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Citations (0)

None

Version History

In chronological order:

smiles-identity-idlist

Created by Peter Li on Friday 16 July 2010 09:50:50 (UTC)

Last edited by Peter Li on Friday 16 July 2010 09:53:16 (UTC)

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smiles-identity-idlist

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Workflow Components

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Wsdl

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Wsdl

Wsdl Operation

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Other workflows that use similar services (7)