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Overlay of tanimoto similarity distributions for additive data (green), nonadditive data (yellow) and non-DTC data (red). For each compound the maximum Tanimoto similarity to any other compound was calculated using ECFP6, excluding its identity. For both other data sets, i.e. nonadditive and non-DTC data, the similarity was calculated against the additive data, density = normalized count so that the area sums to 1
