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...

Descripción completa

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

Internet

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

Ejemplares similares