TOPS-MODE Versus DRAGON Descriptors in QSAR. 2.

The TOPological Sub-Structural MOlecular DEsign (TOPS-MODE) approach has been applied to the study of the retention times in liquid chromatographic of various polyhalogenated biphenyls. A model able to describe more than 96 % of the variance in the experimental retention times of 56 organic compounds was developed with the use of the mentioned approach. In contrast, four different approaches, including the use of Constitutional, Charges indices, Randic Molecular profiles and RDF descriptors was able to explain more than 91 % of the variance in the mentioned property with the same number of descriptors. In addition, the TOPS MODE model was compared with the model obtained with Hasan and Jurs where the superior of the first was clearly demonstrated