DocumentCode :
2988744
Title :
Evaluation of FCV and FCM clustering algorithms in cluster-based compound selection
Author :
Suhaili, Sinarwati Mohamad ; Jambli, Mohamad Nazim ; Huspi, S.H.
Author_Institution :
Sch. of Inf. Technol., Int. Coll. of Adv. Technol. Sarawak, Kuching, Malaysia
fYear :
2011
fDate :
12-13 July 2011
Firstpage :
1
Lastpage :
5
Abstract :
In the last few years, a number of available screening compounds has been growing rapidly due to the recent developments of high-throughput screening in drug discovery. Chemical vendors provide millions of compounds for drug lead identification; however, these compounds are highly redundant. Clustering method that groups similar compounds into families, can be used to analyze such redundancy. One of most used clustering method is cluster-based compound selection, which involves subdividing a set of compounds into clusters and choosing one compound or a small number of compounds from each cluster. However, little research has been done on overlapping method fuzzy c-means (FCM) and fuzzy c-varieties (FCV) clustering algorithms in compound selection research. Therefore, these two clustering algorithms are implemented and the performance is analyzed based on the effectiveness of the clustering results in terms of mean intercluster molecular dissimilarity (MIMDS) where these results are compared with one another. The analysis shows that in terms of MIMDS, the FCV is better than FCM because it clearly shown the uniform results compare to FCM clustering algorithm.
Keywords :
chemistry computing; fuzzy set theory; medical computing; pattern clustering; FCM clustering algorithm; FCV clustering algorithm; chemical vendor; cluster-based compound selection; clustering method; drug discovery; drug lead identification; fuzzy c-means clustering algorithm; fuzzy c-varieties clustering algorithm; high-throughput screening; mean intercluster molecular dissimilarity; Algorithm design and analysis; Chemicals; Clustering algorithms; Clustering methods; Compounds; Drugs; Indexes; Compound Selection; FCM; FCV; MIMDS;
fLanguage :
English
Publisher :
ieee
Conference_Titel :
Information Technology in Asia (CITA 11), 2011 7th International Conference on
Conference_Location :
Kuching, Sarawak
Print_ISBN :
978-1-61284-128-1
Electronic_ISBN :
978-1-61284-130-4
Type :
conf
DOI :
10.1109/CITA.2011.5999519
Filename :
5999519
Link To Document :
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