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Table 1 Tanimoto similarity values using circular connectivity fingerprint descriptors for different datasets under study.

From: Structural diversity of biologically interesting datasets: a scaffold analysis approach

Datasets Drugs Metabolites Toxics NPs Leads NCI ChEMBL
Drugs 1 0.72 0.91 0.85 0.78 0.92 0.94
Metabolites   1 0.73 0.58 0.49 0.67 0.63
Toxics    1 0.80 0.75 0.94 0.84
NPs     1 0.76 0.84 0.88
Leads      1 0.85 0.88
NCI       1 0.90
ChEMBL        1
  1. The upper half of the diagonal contains non-binary Tanimoto similarity values calculated using the FCFP_4 fingerprint.