QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamides.

@article{Goodarzi2010QSARAD,
  title={QSAR and docking studies of novel antileishmanial diaryl sulfides and sulfonamides.},
  author={Mohammad Goodarzi and Elaine Fontes Ferreira da Cunha and Matheus P. Freitas and Teodorico Castro Ramalho},
  journal={European journal of medicinal chemistry},
  year={2010},
  volume={45 11},
  pages={4879-89}
}
Leishmaniasis is a neglected disease transmitted in many tropical and sub-tropical countries, with few studies devoted to its treatment. In this work, the activities of two antileishmanial compound classes were modeled using Dragon descriptors, and multiple linear (MLR) and support vector machines (SVM) as linear and nonlinear regression methods, respectively. Both models were highly predictive, with calibration, leave-one-out validation and external validation R(2) of 0.79, 0.72 and 0.78… CONTINUE READING
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