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Ambit-SMIRKS: a software module for reaction representation, reaction search and structure transformation

Ambit-SMIRKS is an open source software, enabling structure transformation via the SMIRKS language and implemented as an extension of Ambit-SMARTS. As part of the Ambit project it builds on top of The Chemistry Development Kit (The CDK). Ambit-SMIRKS provides the following functionalities: parsing o...

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Detalles Bibliográficos
Autores principales:	Kochev, Nikolay, Avramova, Svetlana, Jeliazkova, Nina
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2018
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6102164/ https://www.ncbi.nlm.nih.gov/pubmed/30128804 http://dx.doi.org/10.1186/s13321-018-0295-6

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