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Harrison PJ: A method of cluster analysis and some applications. J Appl Stat (1968) 17(3):226-236. • This publication was among the first to cite the usefulness of clustering to chemical analysis. This paper is consistently cited in the literature.
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Daylight theory - fingerprints: Daylight, Aliso Viejo, CA, USA (2008). www.daylight.com/dayhtml/doc/theory/theory.finger.html • An overview of the Daylight method of fingerprinting, a popular method of representing chemical compounds in the context of creating computational models.
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