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Machine learning of graph for chemical substances using atom/bond types in force fields
Machine learning of graph for chemical substances using atom/bond types in force fields
2019
Hideyuki Jippo
Ryota Kikuchi
Tatsuru Matsuo
Daisuke Fukuda
Azuma Matsuura
Mari Ohfuchi
Keywords:
Graph (abstract data type)
Materials science
Materials informatics
Force field (physics)
Atomic physics
Atom (order theory)
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