Table 6.

Pseudo-code for filtering circular fingerprints with supervised feature selection

${}^{(1)}$Redundant := non-closed; i.e., a fragment is redundant if there exists a sub-fragment that matches the same compounds.

${}^{(2)}$Fragments with the lowest p value of a ${\mathit{\chi }}^2$ test are removed; the test measures the correlation between the endpoint value distribution of all compounds, and the compounds that match the fragment