All content

Search filter terms
Filter by category
Filter by type
Filter by tag
Filter by user
Filter by licence
Filter by wsdl
Results per page:
Sort by:
Showing 3 results. Use the filters on the left and the search box below to refine the results.
Category: Workflow Type: Taverna 2 Tag: smiles User: Peter Li Licence: by-sa Wsdl: http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap.cgi?wsdl
Uploader

Workflow PubChem substructure search (2)

Thumb
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

Uploader

Workflow smiles-identity-idlist (2)

Thumb
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

Uploader

Workflow smiles-identity-idlist (1)

Thumb
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/).

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

Credits: User Peter Li

Results per page:
Sort by: