Clustering Files of Chemical Structures Using the Fuzzy k-Means Clustering Method.
نویسندگان
چکیده
منابع مشابه
Clustering Files of Chemical Structures Using the Fuzzy k-Means Clustering Method
This paper evaluates the use of the fuzzy k-means clustering method for the clustering of files of 2D chemical structures. Simulated property prediction experiments with the Starlist file of logP values demonstrate that use of the fuzzy k-means method can, in some cases, yield results that are superior to those obtained with the conventional k-means method and with Ward's clustering method. Clu...
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ژورنال
عنوان ژورنال: ChemInform
سال: 2004
ISSN: 0931-7597,1522-2667
DOI: 10.1002/chin.200430216