“…Where,
is the total number of inhibitor and noninhibitor compounds; N is the number of compounds with IDO1 inhibitory activity;
indicates the number of compounds containing a fragment in IDO1 inhibitors;
represents the number of compounds containing a fragment in both classes. In addition, we used information gain (IG) and accuracy (ACC)
[34] to evaluate and screen dominant substructures. IG was used to measure the importance of substructures to the classification system, and the higher its value is, the higher the importance is.…”