Theor. indexes have been produced, from CNDO/2 calcns., to represent the change in electronic structure of a wide series of biol. related compds., p-aminobenzoates and sulphanilamides, their anionic, imidic and amidic forms. The calcd. values correlated both with the biol. and spectroscopic exptl. data and enable the structure-activity relationship of these compds. to be deduced.
A theoretical study of the structure-activity relationship in sulpha drugs.
QUARTIERI, Simona;
1981-01-01
Abstract
Theor. indexes have been produced, from CNDO/2 calcns., to represent the change in electronic structure of a wide series of biol. related compds., p-aminobenzoates and sulphanilamides, their anionic, imidic and amidic forms. The calcd. values correlated both with the biol. and spectroscopic exptl. data and enable the structure-activity relationship of these compds. to be deduced.File in questo prodotto:
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