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get the information of compound via WSDL in ChemBank Database

How to get the information of compound via WSDL in ChemBank Database.

like http://chembank.broadinstitute.org/chemistry/viewMolecule.htm%3bjsessionid=E53770D482CF40D9D4D87AA3A8AC6981?cbid=526, I can get the names, Pubchem Substances... for the ChemBankID 526.

I noticed there are the WSDL Molecule services for this website. (http://chembank.broadinstitute.org/webServices.htm).

Is that possible to query the information of a compound given a chembank ID via WSDL? If could, please show me an example. Thank you.

wsdl chembank
• 2,155 views • link
updated by Ram Ram • written by Zhilong Jia Zhilong Jia

1 answer

I don't think you get the information with the specified WSDL: the WSDL declares two methods:

          <wsdl:operation name="findBySimilarity">
          <wsdl:operation name="findBySubstructure">

but there is no findById/getById.

• 0 views • link
updated by Ram Ram • written by Pierre Lindenbaum Pierre Lindenbaum

Well, I noted there is a line (<xsd:element name="chembankId" nillable="false" type="xsd:string">) but knew nothing about WSDL.

Is there another method to deal with this problem (getting the attribute of a compound given a ChemBank ID)? Thank you.

• 0 views • link
updated by Ram Ram • written by Zhilong Jia Zhilong Jia

chembankId is part of a class named "Molecule".

Molecule is an item in "ArrayofMolecule"

ArrayOfMolecule is the object returned by findBySubstructure or findBySimilarity

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written by Pierre Lindenbaum Pierre Lindenbaum

Well, it needs a substructure input. I plan to parse the html directly.

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updated by Ram Ram • written by Zhilong Jia Zhilong Jia

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