Th. Reijmers et al., The influence of different structure representations on the clustering of an RNA nucleotides data set, J CHEM INF, 41(5), 2001, pp. 1388-1394
Citations number
16
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
The last couple of years an overwhelming amount of data has emerged in the
field of biomolecular structure determination. To explore information hidde
n in these structure databases, clustering techniques can be used. The outc
ome of the clustering experiments largely depends, among others, on the way
the data is represented; therefore, the choice how to represent the molecu
lar structure information is extremely important. This article describes wh
at the influence of the different representations on the clustering is and
how it can be analyzed by means of a dendrogram comparison method. All expe
riments are performed using a data set consisting of RNA trinucleotides. Be
sides the most basic structure representation, the Cartesian coordinates re
presentation, several other structure representations are used.