Sentence examples for using the tanimoto equation from inspiring English sources

Generally, chemical similarity is determined by comparison of "fingerprints" using the Tanimoto equation (Eq. 1).

We can also use this transformation using the Tanimoto similarity and the Tanimoto distance.

Similarity between fingerprints was measured using the Tanimoto metric [33].

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

The similarity in electrostatic potential between the selected molecules and their templates in Figure 1 was then calculated using the Tanimoto metric [32].

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.

Candidate drug compounds were screened using the Tanimoto index from DrugBank and were evaluated by ChooseLD for three selected proteins, ALK, EGLN3 and NUAK1.

Table 1 shows the mean AUC across the family targets for an SVM with a product kernel using the Tanimoto kernel for ligands and various kernels for proteins.

One method in which PubChem evaluates chemical similarity between two molecules is to use a two-dimensional (2-D) dictionary-based fingerprint [5] and the Tanimoto equation [6, 7]: Tanimoto = AB A + B − AB (1).

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

Similarity scores were determined by measuring the Tanimoto coefficients which can be determined using the following equation, {text{T}}_{text{C}} = frac{{{text{b}}_{text{c}} }}{{{text{b}}_{1} + {text{b}}_{2} * {text{b}}_{text{c}} }}.Where TC is the tanimoto similarity score, bC are the common bits for both compounds, b1 are the bits from molecule one, and b2 are the bits from molecule two [56].