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“…The utility of the similarity search tool can be illustrated by taking the top ten selling small-molecule drugs [based on 2006 sales figures in USD (Humphreys, 2007)] and running a similarity search for each of these. For these ten molecular structures (see supplemental material 1 ) a similarity search was performed and the top ten chemically distinct matches, based on the Tanimoto coefficient, were recorded.…”
Section: Similarity Searchingmentioning
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“…The utility of the similarity search tool can be illustrated by taking the top ten selling small-molecule drugs [based on 2006 sales figures in USD (Humphreys, 2007)] and running a similarity search for each of these. For these ten molecular structures (see supplemental material 1 ) a similarity search was performed and the top ten chemically distinct matches, based on the Tanimoto coefficient, were recorded.…”
Section: Similarity Searchingmentioning