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- W51650561 abstract "Large series of Aconitum and Delphinium alkaloids have been investigated by means of QSAR analysis. Descriptors related to drug-likeness of molecules were selected to discriminate between drugs and non-drugs amongst diterpenoid alkaloids of interest. A usefulness of such approach has been assessed and it proved to give reliable results on whether a particular diterpenoid alkaloid is likely to be either poison or drug. A number of QSAR models with drug-likeness descriptors have also been obtained and discussed in terms of their relativity to the mode of toxic action exhibited by the alkaloids. The QSAR models were obtained with r value in the range 0.69-0.94. The q(2) (cross validation of r(2)) values also confirm the statistical significance of our models." @default.
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- W51650561 date "2008-05-01" @default.
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- W51650561 title "Aconitum and Delphinium alkaloids" @default.
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- W51650561 doi "https://doi.org/10.1016/j.etap.2007.10.035" @default.
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