Search


Click here for a complete list of operations.

SimilaritySearch

Search by SMILES or MOL. Valid values of the Threshold parameter are between 0 and 100. Returns transaction ID which can be used to access search status and result. Security token is required.

Test

The test form is only available for requests from the local machine.

SOAP 1.1

The following is a sample SOAP 1.1 request and response. The placeholders shown need to be replaced with actual values.

POST /Search.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: text/xml; charset=utf-8
Content-Length: length
SOAPAction: "http://www.chemspider.com/SimilaritySearch"

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <SimilaritySearch xmlns="http://www.chemspider.com/">
      <options>
        <SimilarityType>Tanimoto or Tversky or Euclidian</SimilarityType>
        <Threshold>float</Threshold>
      </options>
      <commonOptions>
        <Complexity>Any or Single or Multi</Complexity>
        <Isotopic>Any or Labeled or NotLabeled</Isotopic>
        <HasSpectra>boolean</HasSpectra>
        <HasPatents>boolean</HasPatents>
      </commonOptions>
      <token>string</token>
    </SimilaritySearch>
  </soap:Body>
</soap:Envelope>
HTTP/1.1 200 OK
Content-Type: text/xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap="http://schemas.xmlsoap.org/soap/envelope/">
  <soap:Body>
    <SimilaritySearchResponse xmlns="http://www.chemspider.com/">
      <SimilaritySearchResult>string</SimilaritySearchResult>
    </SimilaritySearchResponse>
  </soap:Body>
</soap:Envelope>

SOAP 1.2

The following is a sample SOAP 1.2 request and response. The placeholders shown need to be replaced with actual values.

POST /Search.asmx HTTP/1.1
Host: www.chemspider.com
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <SimilaritySearch xmlns="http://www.chemspider.com/">
      <options>
        <SimilarityType>Tanimoto or Tversky or Euclidian</SimilarityType>
        <Threshold>float</Threshold>
      </options>
      <commonOptions>
        <Complexity>Any or Single or Multi</Complexity>
        <Isotopic>Any or Labeled or NotLabeled</Isotopic>
        <HasSpectra>boolean</HasSpectra>
        <HasPatents>boolean</HasPatents>
      </commonOptions>
      <token>string</token>
    </SimilaritySearch>
  </soap12:Body>
</soap12:Envelope>
HTTP/1.1 200 OK
Content-Type: application/soap+xml; charset=utf-8
Content-Length: length

<?xml version="1.0" encoding="utf-8"?>
<soap12:Envelope xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:soap12="http://www.w3.org/2003/05/soap-envelope">
  <soap12:Body>
    <SimilaritySearchResponse xmlns="http://www.chemspider.com/">
      <SimilaritySearchResult>string</SimilaritySearchResult>
    </SimilaritySearchResponse>
  </soap12:Body>
</soap12:Envelope>