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Complex systems in drug research: I. The chemical levels
Authors:Bernard Testa  Lemont B Kier
Abstract:The hierarchy of chemical systems is examined. It is argued that an intermediate level of complexity, that of functional groups, exists between atoms and molecules. Molecular properties have an emergent nature, e.g., the “chameleonic behavior.” Aggregates of molecules and solutions also behave as complex systems. Emergent properties are particularly noteworthy in biological macromolecules and correspond to basins of attraction resulting from a complex interplay between intramolecular and intermolecular interactions.
Keywords:Atoms  functional groups  molecules  macromolecules  biomacromolecules  aggregates of molecules  solutions
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