A New Set of Principal Properties for Heteroaromatics Obtained by GRID
Sérgio Clementi, Gabriele Cruciani, Paola Fifi, Daniela Riganelli, Roberta Valigi, Giuseppe Musumarra · Quantitative Structure-Activity Relationships · 1996
Abstract A set of 40 heteroaromatic systems was multivariately characterized by 13 descriptors derived by GRID. From this data matrix a second generation of Principal Properties for heteroaromatics was derived. Such Principal Properties are suitable for designing series of molecules of biological interest containing heteroaromatic moieties.