Distance based algorithms for small biomolecule classification and structural similarity search
نویسندگان
چکیده
منابع مشابه
Distance based algorithms for small biomolecule classification and structural similarity search
MOTIVATION Structural similarity search among small molecules is a standard tool used in molecular classification and in-silico drug discovery. The effectiveness of this general approach depends on how well the following problems are addressed. The notion of similarity should be chosen for providing the highest level of discrimination of compounds wrt the bioactivity of interest. The data struc...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2006
ISSN: 1367-4803,1460-2059
DOI: 10.1093/bioinformatics/btl259