Leonardo Pacheco-Londoño

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Quantitative structure-property relationships (QSPR) have been determined to predict the melting point temperatures of 1,2,3-diazaborine compounds (n = 72). Electronic and topological descriptors were computed from molecular structures, and a QSPR model was generated by linear multiple regression using reported melting point temperatures as the dependent(More)
Quantitative structure-activity relationship (QSAR) models are useful in providing a biochemical understanding of the biological activity of natural and synthetic chemicals based solely on molecular structure. One- to three-parameter multiregression equations were generated for three different groups of flavonoids to model experimental flavonoid-induced(More)
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