On the rational selection of test series. 2. Two-dimensional mapping of intraclass correlation matrices.
A rational design of optimal test series can be performed by two-dimensional mapping of intraclass correlation matrices (TMIC method). The method results in a two-dimensional map from which substituents can be selected by simple inspection. Different test series can be obtained from the same map so that synthetic feasibility can easily be taken into account. The approach closely corresponds to the usual way of thinking of organic chemists, and the test series evaluated for an example show high data variance and low collinearities.
D055598:Chemical Phenomena; D002621:Chemistry; D008954:Models, Biological; D013329:Structure-Activity Relationship