Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
نویسندگان
چکیده
منابع مشابه
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
BACKGROUND Cheminformaticians are equipped with a very rich toolbox when carrying out molecular similarity calculations. A large number of molecular representations exist, and there are several methods (similarity and distance metrics) to quantify the similarity of molecular representations. In this work, eight well-known similarity/distance metrics are compared on a large dataset of molecular ...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2015
ISSN: 1758-2946
DOI: 10.1186/s13321-015-0069-3