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Enabling drug discovery project decisions with integrated computational chemistry and informatics.
Vickie Tsui
Daniel F. Ortwine
Jeffrey M. Blaney
Published in:
J. Comput. Aided Mol. Des. (2017)
Keyphrases
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drug discovery
computational chemistry
chemical compounds
pharmaceutical industry
virtual screening
early stage
scientific data
data collection
information retrieval
databases
data mining
biological systems
machine learning
complex systems
high throughput
discovery process