TOPS-MODE and DRAGON Descriptors in QSAR. 1. Skin Permeation #

@inproceedings{Surpateanu2004TOPSMODEAD,
  title={TOPS-MODE and DRAGON Descriptors in QSAR. 1. Skin Permeation #},
  author={Georgiana G. Surpateanu and Maykel P{\'e}rez Gonz{\'a}lez and Aliuska Morales Helguera and Yesenia Morales},
  year={2004}
}
Motivation. The TOPological Sub–Structural MOlecular DEsign (TOPS–MODE) approach has been applied to the study of the permeability coefficient of various compounds through human skin. A model with good statistical parameters was developed (R 2 = 0.938, S = 0.24, F = 151.06) with the use of the mentioned approach for the 37 organic compounds used in the training set. In contrast, none of nine different approaches, including the use of constitutional (R 2 

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