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Notes:


On light of the size distribution of coefficients, John Holliday came up with these tables which demonstrate that given the two compound sizes, there is a maximum similarity value for the coefficients. We see that these three tables have the first column as query size and the first row as the size of a database molecule. The first table, tanimoto, has a maximum value of 1 when two compound sizes are equal. We can say that Tanimoto has a maximum value when the sizes of two compounds being compared are equal. Russell has a maximum value at the bottom-right corner of the table and a minimum value at the upper-left corner. We can say that Russell has a maximum value when both compounds are largest and it has a minimum value when both compounds are smallest. Forbes is the opposite. With two smallest compounds, at the upper-left corner of the table, there is a maximum value and with two largest compounds, at the bottom-right corner of the table, there is a maximum.