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From intuition to AI: evolution of small molecule representations in drug discovery.
Miles McGibbon
Steven R. Shave
Jie Dong
Yumiao Gao
Douglas R. Houston
Jiancong Xie
Yuedong Yang
Philippe Schwaller
Vincent Blay
Published in:
Briefings Bioinform. (2023)
Keyphrases
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drug discovery
chemical compounds
pharmaceutical industry
early stage
artificial intelligence
systems biology
expert systems
scientific data
virtual screening
discovery process
database
decision trees
data mining tools
data mining
data integration
biological systems