Structure-activity analyzed by pattern recognition: the asymmetric case.

In classification studies in which pattern-recognition methods are used to distinguish active compounds from inactive ones, a type of data structure which we call "asymmetric" can be observed. This type of data structure can be quite common and its occurrence can have a profound effect on the classification analysis outcome. The origin of asymmetric data structure and a strategy or obtaining meaningful classification results when it is observed are discussed and illustrated with an example of active and inactive antimalarial quinones.