An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases
نویسندگان
چکیده
منابع مشابه
An Intersection Inequality Sharper than the Tanimoto Triangle Inequality for Efficiently Searching Large Databases
Bounds on distances or similarity measures can be useful to help search large databases efficiently. Here we consider the case of large databases of small molecules represented by molecular fingerprint vectors with the Tanimoto similarity measure. We derive a new intersection inequality which provides a bound on the Tanimoto similarity between two fingerprint vectors and show that this bound is...
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Given an electrical circuit each edge e of which is an isotropic conductor with a monomial conductivity function y∗ e = y r e/μ s e. In this formula, ye is the potential difference and y∗ e current in e, while μe is the resistance of e, while r and s are two strictly positive real parameters common for all edges. In 1987, Gvishiani and Gurvich [4] proved that, for every two nodes a, b of the ci...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2009
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci900133j