Quantitative structure-activity relationship studies of HIV-1 integrase inhibition. 1. GETAWAY descriptors.

@article{Sazurra2007QuantitativeSR,
  title={Quantitative structure-activity relationship studies of HIV-1 integrase inhibition. 1. GETAWAY descriptors.},
  author={Liane Sa{\'i}z-urra and Maykel P{\'e}rez Gonz{\'a}lez and Y. Katznelson Fall and Generosa G{\'o}mez},
  journal={European journal of medicinal chemistry},
  year={2007},
  volume={42 1},
  pages={64-70}
}
The GEometry, Topology, and Atom-Weights AssemblY (GETAWAY) approach has been applied to the study of the HIV-1 integrase inhibition of 172 compounds that belong to 11 different chemistry families. A model able to describe more than 68.5% of the variance in the experimental activity was developed with the use of the mentioned approach. In contrast, none of the five different approaches, including the use of Randić Molecular Profiles, Geometrical, RDF, 3D-MORSE and WHIM descriptors was able to… CONTINUE READING