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The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

BACKGROUND: The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to represent chemical concepts along with methods to manipulate such structures and perform computations on them. The library implements a wide variety of cheminformatics a...

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Detalles Bibliográficos
Autores principales:	Willighagen, Egon L., Mayfield, John W., Alvarsson, Jonathan, Berg, Arvid, Carlsson, Lars, Jeliazkova, Nina, Kuhn, Stefan, Pluskal, Tomáš, Rojas-Chertó, Miquel, Spjuth, Ola, Torrance, Gilleain, Evelo, Chris T., Guha, Rajarshi, Steinbeck, Christoph
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2017
Materias:	Software
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5461230/ https://www.ncbi.nlm.nih.gov/pubmed/29086040 http://dx.doi.org/10.1186/s13321-017-0220-4

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