chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery

BACKGROUND: Analyzing files containing chemical information is at the core of cheminformatics. Each analysis may require a unique workflow. This paper describes the chemalot and chemalot_knime open source packages. Chemalot is a set of command line programs with a wide range of functionalities for c...

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Detalles Bibliográficos
Autores principales: Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5468363/
https://www.ncbi.nlm.nih.gov/pubmed/29086196
http://dx.doi.org/10.1186/s13321-017-0228-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5468363/
https://www.ncbi.nlm.nih.gov/pubmed/29086196
http://dx.doi.org/10.1186/s13321-017-0228-9

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