Unsupervised data base clustering based on daylight's fingerprint and Tanimoto similarity: A fast and automated way to cluster small and large data sets

Journal of Chemical Information and Computer Sciences

Volumn 39, Issue 4, 1999, Pages 747-750

  Butina, Darko ^a  

^a GLAXOSMITHKLINE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER SOFTWARE; DATABASE SYSTEMS;

TANIMOTO SIMILARITY INDEX;

MOLECULAR STRUCTURE;

EID: 0032671931     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9803381     Document Type: Article

References (7)

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3. Barnard, J. M.; Downs, G. M. Clustering of Chemical Structures on the Basis of two-Dimensional Similarity Measures. J. Chem. Inf. Comput. Sci. 1992, 32, 644-649.
4. Arbie, P.; Hubert, L. J.; De Soete, G. Clustering and Classification; World Scientific: Singapore, 1996; p 2.
5. Doman, T. M.; et al. Algorithms: A Technique for Fuzzy Similarity Clustering of Chemical Inventories. J. Chem. Inf. Comput. Sci. 1996, 36, 1195-1204.
6. Tversky, A. Perception of Similarity. Psychol. Rev. 1977, 84, 317-352.
7. Turner, D. B.; Tyrrell, S. M.; Willett, P. Rapid Quantification of Molecular Diversity for Selective Database Acquisition. J. Chem. Inf. Comput. Sci. 1997, 37, 18-22.