QSAR STUDY ON DIOXINS
Keywords:
dioxin, hypermolecule, QSAR, Cluj descriptorsAbstract
This paper presents a QSAR study realized on a set of 40 dioxins, known as pollutants, substances that are toxic for the environment. The study is based on the hypermolecule approach and on the prediction by similarity clustering. The results show a good modeling of logP parameter with the correlation weighted descriptor and some topological indices derived from Cluj matrices and also with the calculated HOMO energy level for the set of studied molecules.
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