Distance Comparisons: A New Strategy for Examining Three-Dimensional Structure—Activity Relationships
Yvonne Connolly Martin · ACS symposium series · 1995
DISCO is a pharmacophore mapping method that quickly generates all pharmacophore models consistent with the data. This provides an overview of the pharmacophore maps just as all possible regressions provides an overview of the QSAR of the dataset. In many cases more than one pharmacophore map is consistent with the data: additional experimental information must be supplied to resolve the issue. Frequently, for some of the compounds in the dataset DISCO identifies more than one possible bioactive conformation. These properties make DISCO a complement to 3D QSAR methods.