Sentence examples for using the Tanimoto coefficient from inspiring English sources

All compound similarities were calculated using the Tanimoto coefficient (Tc) which ranges from 0, no similarity, to 1, maximum similarity.

To meet these requirements, we compared our approaches to the 166 bit MACCS keys [12] using the Tanimoto coefficient to calculate a similarity value.

Run times for the AAP similarity calculations are significantly longer than for computing similarities using the Tanimoto coefficient and binary fingerprints.

The fingerprints for two molecules can also be used to calculate structural similarity using the Tanimoto coefficient, the number of bits in common divided by the union of the bits set.

Dataset comparison using the Tanimoto coefficient shows that drugs and toxics share a large number of topological fragments whereas drugs are least similar to metabolites than to any other dataset studied.

This fingerprint is identical with Daylight fingerprints, which are used as a standard for benchmarking in many publications and is also used to calculate molecule similarity using the Tanimoto coefficient [42].

We used the Tanimoto coefficient (TC) to calculate the similarity between all drug pairs.

The most common way to compare molecular fingerprints for similarity uses the Tanimoto coefficient (Tc) (18, 19), which compares the number of "on" bits shared between two fingerprints to all the on bits that could have been matched between them.

We used the Tanimoto coefficient, which is defined as c/(a + b + c), where c is the number of features common in both compounds, while a and b are the number of features that are unique in one or the other compound, respectively.

For all pairs of compounds, the pairwise structural diversity was assessed with Molecular ACCess System (MACCS) keys (166-bits) [12] and Extended Connectivity Fingerprints (ECFP_4) [13] using the Tanimoto similarity coefficient [31].

Each of the 40 topics derived from the topic model was unique, as evident by a pairwise similarity assessment of topics using the Tanimoto method where the largest Tanimoto coefficient was only 0.2 for topics 22 and 30.