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Asymmetric Clustering Index in a Case Study of 5-HT(1A) 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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Detalhes bibliográficos
Main Authors: Śmieja, Marek, Warszycki, Dawid, Tabor, Jacek, Bojarski, Andrzej J.
Formato: Artigo
Idioma:Inglês
Publicado em: Public Library of Science 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4096758/
https://ncbi.nlm.nih.gov/pubmed/25019251
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0102069
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