Continuous symmetry and shape measures, or how to measure the distance between polyhedra representing molecules
نویسنده
چکیده
One of the most deeply rooted ideas in chemistry is that molecules which are similar should also behave in a similar way, that is, they should exhibit similar chemical and physical properties. This way of reasoning is at the origin of a large number of attempts to rationalize chemical observations, including the type theory developed in the first half of the XIX century, the concept of functional groups in organic chemistry or modern Quantitative Structure Activity Relations (QSAR) methods.
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