Upper panel (A and B) shows the workflow of M&S, bottom panel (C to E) shows that of ML, and the right end panel shows the M&S and ML combined model. Predicted values of compound brain concentration-time profiles were derived from (B) as a control (scenario I), and profiles of different scenarios were derived from (F) and (G) as scenarios II and III, respectively. Here, as an example, (A) shows the case of an iv 2-compatment model.