our study performed upon an extended series of 28 compounds of 1,2,4-triazole derivativesthat demonstrate substantial in vitro antimicrobial activities by serial plate dilution method,using quantitative structure-activity relationship (qsar) methods that imply analysis ofcorrelations and multiple linear regression (mlr); a significant collection of moleculardescriptors was used e.g., edge adjac...

and his main research activities concern chemometrics in all his aspects, the study of quantitative structure–activity relationships (QSAR), molecular descriptors, multicriteria decision making, and software development. President of the Italian Chemometric Society and member of the editorial advisory boards of relevant scientific reviews, he is full Professor of Chemometrics at the Department ...

predictive quantitative structure–activity relationship was performed on the novel 4-oxo-1,4-dihydroquinoline and 4-oxo-4h-pyrido[1,2-a]pyrimidine derivatives to explore relationship between the structure of synthesized compounds and their anti-hiv-1 activities. in this way, the suitable set of the molecular descriptors was calculated and the important descriptors using the variable selections ...

Predictive quantitative structure–activity relationship was performed on the novel 4-oxo-1,4-dihydroquinoline and 4-oxo-4H-pyrido[1,2-a]pyrimidine derivatives to explore relationship between the structure of synthesized compounds and their anti-HIV-1 activities. In this way, the suitable set of the molecular descriptors was calculated and the important descriptors using the variable selections ...

In theoretical chemistry, molecular structure descriptors are used to compute properties of chemical compounds. Among them Wiener, Szeged and detour indices play significant roles in anticipating chemical phenomena. In the present paper, we study these topological indices with respect to their difference number.