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...

Full beskrivning

Sparad:
Bibliografiska uppgifter
I publikationen:J Cheminform
Huvudupphovsmän: Lee, Man-Ling, Aliagas, Ignacio, Feng, Jianwen A., Gabriel, Thomas, O’Donnell, T. J., Sellers, Benjamin D., Wiswedel, Bernd, Gobbi, Alberto
Materialtyp: Artigo
Språk:Inglês
Publicerad: Springer International Publishing 2017
Ämnen:
Software
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC5468363/
https://ncbi.nlm.nih.gov/pubmed/29086196
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0228-9
Taggar: Lägg till en tagg
Inga taggar, Lägg till första taggen!

Liknande verk