Abstract

PEIGNIER, Sergio  and  CASTANETA M, Heriberto. Análisis de 'subspace clustering' de moléculas utilizando Chameleoclust, un algoritmo evolutivo. Rev. Bol. Quim [online]. 2015, vol.32, n.5, pp.110-120. ISSN 0250-5460.

'Subspace clustering' has been successfully applied to different datasets, especially those characterized by a high dimensionality. However most of the traditional state-of-the-art 'subspace clustering' algorithms have usually many parameters that are hard to tune. Recently, it has been proposed a new evolutionary 'subspace clustering' that takes advantage of its evolvable genome structure to adapt to different datasets without any complicated parameters tuning. In this paper we apply this new technique to study 36 chemical molecules characterized by a large number of molecular descriptors in order to determine clusters with distinctive characteristics likely to be adsorbed on activated carbon BPL.

Keywords : Subspace clustering; Evolutionary algorithms; Chemical compounds; Descriptors; Adsorption.

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