Abstract: Organic chemistry has based its knowledge on the study of structures of chemical elements and their reactivity. The classification of the various elements, atoms and molecules has evolved over time, but it is remarkable that these representations have incorporated such subjective quality concepts in connection with the perceptions that the manipulators of these substances could identify. The electronic properties of atoms connected to the nuclear behavior of these elements indeed provide each element's periodic classification. Thanks to this classification model, it was possible to envisage the existence of elements as yet not isolated. This theorization of the structure of matter by Schrödinger has opened the way to purely theoretical modeling which is in itself the basis of the in silico chemistry.......
Keywords: QSAR, molecular descriptors, structure, property, optimization, modelling
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