myExperiment - Workflows

Results per page:

Sort by:

Showing 6 results. Use the filters on the left and the search box below to refine the results.

Type: Taverna 2

Tag: smiles

Wsdl: http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl

or http://www.chemspider.com/MassSpecAPI.asmx?WSDL

or http://www.chemspider.com/Search.asmx?WSDL

or http://soap.genome.jp/KEGG.wsdl

or http://www.ncbi.nlm.nih.gov/entrez/eutils/soap/v2.0/eutils.wsdl

Remove all filters

Taverna 2

Uploader

Peter Li

PubChem substructure search (2)

Download

Search PubChem Compound for structures containing the one given by the structure key input, based on a user-selected level of chemical identity: connectivity only, match isotopes and/or stereo, etc. The original workflow was written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

Created: 2010-07-16 | Last updated: 2010-07-16

Taverna 2

Uploader

Peter Li

smiles-identity-idlist (2)

Download

Performs a search in Pubchem for compounds similar to an input compound represented in SMILES notation. This workflow is based on the original smiles-identity-idlist workflow written by the PubChem team @ NCBI (http://pubchem.ncbi.nlm.nih.gov/).

Created: 2010-07-16 | Last updated: 2010-07-16

Taverna 2

Uploader

Peter Li

smiles-identity-idlist (1)

Download

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/).