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Molecular Topology - Drug design - Drug discovery - Green Chemistry
Molecular topology is a part of mathematical chemistry dealing with the algebraic description of chemical compounds so allowing an unique and easy characterization of them. As for the. Physicochemical descriptors, it is possible to set up direct quantitative structure activity relationships by means of equations correlating experimental properties with such descriptors, usually referred to as topological indices (TIs). However, there are several advantages of using TIs, as for instance:. They have succee...
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