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Is fragment-based graph a better graph-based molecular representation for drug design? A comparison study of graph-based models.
Baiyu Chen
Ziqi Pan
Minjie Mou
Yuan Zhou
Wei Fu
Published in:
Comput. Biol. Medicine (2024)
Keyphrases
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drug design
graph model
graph theoretic
protein structure prediction
protein function prediction
drug discovery
fine grained
statistical methods
dna sequences