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Automated de novo molecular design by hybrid machine intelligence and rule-driven chemical synthesis.
Alexander Button
Daniel Merk
Jan A. Hiss
Gisbert Schneider
Published in:
Nat. Mach. Intell. (2019)
Keyphrases
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machine intelligence
computer aided
real time
neural network
computer vision
three dimensional
human intelligence
rule generation
data mining
machine learning
artificial intelligence
hybrid learning
design space
chemical reaction
chemical engineering