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A comprehensive review of molecular optimization in artificial intelligence-based drug discovery.
Yuhang Xia
Yongkang Wang
Zhiwei Wang
Wen Zhang
Published in:
Quant. Biol. (2024)
Keyphrases
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drug discovery
artificial intelligence
virtual screening
chemical compounds
early stage
drug design
pharmaceutical industry
quantitative structure activity
scientific data
expert systems
biological systems
systems biology
discovery process
data mining tools
machine learning
natural language processing