3D_QSAR INVESTIGATION OF FURAMIDINE DERIVATIVES BY MOLECULAR FIELD ANALYSIS[J]. Journal of South China Normal University (Natural Science Edition), 2009, 1(3): 60-63 .
Citation:
3D_QSAR INVESTIGATION OF FURAMIDINE DERIVATIVES BY MOLECULAR FIELD ANALYSIS[J]. Journal of South China Normal University (Natural Science Edition), 2009, 1(3): 60-63 .
3D_QSAR INVESTIGATION OF FURAMIDINE DERIVATIVES BY MOLECULAR FIELD ANALYSIS[J]. Journal of South China Normal University (Natural Science Edition), 2009, 1(3): 60-63 .
Citation:
3D_QSAR INVESTIGATION OF FURAMIDINE DERIVATIVES BY MOLECULAR FIELD ANALYSIS[J]. Journal of South China Normal University (Natural Science Edition), 2009, 1(3): 60-63 .
The quantitative structure-activity (QSAR) of a series of antiparasitic furamidine derivatives were investigated using molecular field analysis models. Regression analysis was carried out using genetic partial least squares method. A significant model was generated, and r2=0.963, r2cv=0.940. The model had good predictive ability with r2pred=0.953 using a test set of 4 compounds.
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