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. 2020 Nov 5;37(3):337–344. doi: 10.1007/s43188-020-00069-8

Table 3.

Tanimoto structural similarity indices as percent (as calculated in OECD QSAR Toolbox)

Nicotinic acid Nicotinamide Methyl nicotinate Ethyl nicotinate Benzyl nicotinate
Nicotinic acid 1 0.82 0.93 0.90 0.86
Nicotinamide 1 0.81 0.79 0.76
Methyl nicotinate 1 0.97 0.91
Ethyl nicotinate 1 0.94
Benzyl nicotinate 1