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Chemical Similarity Searching

  • Use of a similarity measure to determine the degree of similarity between a target structure and each structure in a database
  • The similar property principle means that high-ranked structures are likely to have similar properties to that of the target structure

    Notes:

    Chemical similarity searching involves the use of a similarity measure to decide the degree of similarity between a target structure or we call query and each compound in a database. And the similar property principle means that high-ranked structures by a similarity measure are likely to have similar properties to that of the query.