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10.1186/s13321-016-0159-x

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suck abstract from ncbi


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pmid28316647
      J+Cheminform 2016 ; 8 (ä): 49
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  • Mixtures, metabolites, ionic liquids: a new measure to evaluate similarity between complex chemical systems #MMPMID28316647
  • Mauri A ; Ballabio D ; Todeschini R ; Consonni V
  • J Cheminform 2016[]; 8 (ä): 49 PMID28316647 show ga
  • This communication deals with the scientific problem of evaluating the similarity between two chemical systems, each described by a finite discrete set of elements/members, which are in turn p-dimensional vectors of chemical/biological descriptors. A variant of the Hausdorff measure, called Hausdorff-like similarity (Hs), is proposed aimed at taking into account information on all the elements present in the compared sets, information that is usually lost by the other measures.
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