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Re: Molecules representative within a cluster [message #1188 is a reply to message #1185] Wed, 13 January 2021 20:58 Go to previous message
thomas is currently offline  thomas
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Registered: June 2014
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For any molecule in any cluster all similarity values to all other molecules within the same cluster are added. Within a cluster all molecules have the same number of other cluster members. Therefore, that molecule with the highest similarity sum within one cluster is the one that on average is most similar to all other cluster members and therefore is the one that is most central in a cluster. Does this explain it?
 
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