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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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Bibliografski detalji
Glavni autori: Śmieja, Marek, Warszycki, Dawid, Tabor, Jacek, Bojarski, Andrzej J.
Format: Artigo
Jezik:Inglês
Izdano: Public Library of Science 2014
Teme:
Online pristup: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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