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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.