The application of formal languages to the generation of ideal chemical structures is demonstrated. The grammars are based on linear expressions of the molecular structure which are defined recursively using simple rules. The general concepts are applied to concrete systems: branched alkanes and branched polyethers. It is shown that the molecular dimension is necessarily limited for structures formulated by systematic replacements in linear expressions. In perspective, more general grammars can lead to an increasing application of formal languages to the proposal of new complex structures.
Generative grammars for branched molecular structures
Longo S
2022
Abstract
The application of formal languages to the generation of ideal chemical structures is demonstrated. The grammars are based on linear expressions of the molecular structure which are defined recursively using simple rules. The general concepts are applied to concrete systems: branched alkanes and branched polyethers. It is shown that the molecular dimension is necessarily limited for structures formulated by systematic replacements in linear expressions. In perspective, more general grammars can lead to an increasing application of formal languages to the proposal of new complex structures.File in questo prodotto:
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