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Max. Similarity Values For Tan, Rus and For
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.