Chemical Abundances and Hierarchical Clustering
نویسندگان
چکیده
منابع مشابه
HierS: hierarchical scaffold clustering using topological chemical graphs.
An exhaustive ring-based algorithm, HierS, has been developed in order to provide an intuitive approach to compound clustering for analyzing high-throughput screening results. The recursive algorithm rapidly identifies all possible ring-delimited substructures within a set of compounds. Molecules are grouped by shared ring substructures (scaffolds) so that common scaffolds obtain higher members...
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ژورنال
عنوان ژورنال: Symposium - International Astronomical Union
سال: 2004
ISSN: 0074-1809
DOI: 10.1017/s0074180900197682