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Asymmetric clustering index in a case study of 5-HT1A receptor ligands.

The automatic clustering of chemical compounds is an important branch of chemoinformatics. In this paper the Asymmetric Clustering Index (Aci) is proposed to assess how well an automatically created partition reflects the reference. The asymmetry allows for a distinction between the fixed reference...

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Váldodahkkit: Marek Śmieja, Dawid Warszycki, Jacek Tabor, Andrzej J Bojarski
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: Public Library of Science (PLoS) 2014-01-01
Ráidu:PLoS ONE
Liŋkkat:http://europepmc.org/articles/PMC4096758?pdf=render
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