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Ring system-based chemical graph generation for de novo molecular design.
Tomoyuki Miyao
Hiromasa Kaneko
Kimito Funatsu
Published in:
J. Comput. Aided Mol. Des. (2016)
Keyphrases
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three dimensional
drug discovery
case study
building blocks
engineering design
graph representation
design process
structured data
connected components
graph theory
graph model