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Navigating Chemical Space by Interfacing Generative Artificial Intelligence and Molecular Docking.
Ziqiao Xu
Orrette R. Wauchope
Aaron T. Frank
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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artificial intelligence
drug discovery
intelligent systems
molecular level
expert systems
generative model
search space
case based reasoning
vector space
data driven
chemical reactions
space time
unsupervised learning
real time
computational intelligence
software engineering
search algorithm
data sets