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chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.
Man-Ling Lee
Ignacio Aliagas
Jianwen A. Feng
Thomas R. Gabriel
T. J. O'Donnell
Benjamin D. Sellers
Bernd Wiswedel
Alberto Gobbi
Published in:
J. Cheminformatics (2017)
Keyphrases
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drug discovery
command line
user friendly
data mining tools
text files
cross platform
software package
graphical interface
operating system
virtual screening
early stage
biological systems
discovery process
business process
knowledge discovery
user interface
data mining
systems biology
end users
case study