Tanimoto similarity index

synonym: Tanimoto index
https://doi.org/10.1351/goldbook.10145
Fraction of variables that are considered to agree between two objects.
Notes:
  1. The rules for agreement must be defined. For example in an elemental analysis, element concentrations equivalent within \(\pu{20\%}\).
  2. The Tanimoto index is used in drug discovery and QSAR for comparison of structures in large data bases in an efficient way.
  3. The Tanimoto index is essentially similar to the Jaccard index. (See https://en.wikipedia.org/wiki/Jaccard_index).
Source:
PAC, 2016, 88, 407. (Vocabulary of concepts and terms in chemometrics (IUPAC Recommendations 2016)) on page 432 [Terms] [Paper]
Citation: 'Tanimoto similarity index' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.10145 RIS BibTex EndNote
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