Calculation of chromatographic parameters by molecular topology: sulphamides

QSAR Analysis of Hypoglycemic Agents Using the Topological Indices

“…The hypoglycemic assay compared the validity of these results and of the followed discrimination and selection method. The animals used in these tests were male Wistar rats whose blood glucose levels were monitored for 6 h after producing an overcharge of glucose at 2 h . The study was approved by the Committee of Ethics of Animal Use.…”

“…A large number of quantitative structure−activity relationship (QSAR) studies has been reported in recent literature that use theoretical molecular descriptors in predicting the physicochemical, pharmacological, and toxicological properties of molecules. − The important common feature of all those descriptors is the independence of their numerical values on renumbering atoms in a chemical structure. To perform quantitative “structure−activity” and “structure−property” (QSAR/QSPR) studies correctly, chemists have had to design a variety of molecular graph invariants. − …”

Synthesis of pyrazolopyridine 3‐carboxylates by Friedlander condensation

“…Pyrazolo[3,4‐ b ]pyridines as aza‐analogues of indazoles are attractive targets in organic synthesis because of their significant biological activities, such as hypoglycemic [1], psychotropic [2], cytotoxic [3], antiviral [4], fungicidal [5], antiasthmatic [6], antiallergic [7], antitumor [8], and antibacterial [9]. These compounds were also used in coronary of neurodegenerative diseases [10, 11].…”

Artificial Neural Network Applied to Prediction of Fluorquinolone Antibacterial Activity by Topological Methods

“…A large number of quantitative structure−activity relationship (QSAR) studies have been reported in recent literature that use theoretical molecular descriptors in predicting the physicochemical, pharmacological, and toxicological properties of molecules. − The important common feature of all those descriptors is the independence of their numerical values on renumbering atoms in a chemical structure. To perform quantitative “structure−activity” and “structure−property” (QSPR) studies correctly, chemists have had to design a variety of molecular graph invariants. − Therefore, it becomes necessary to develop QSARs based on nonempirical parameters which can predict the biological properties for a homogeneous collection of chemicals so that such models are generally applicable.…”