C2DTD is a new physics-informed topological descriptor that combines local geometry, radial structure, and primitive ring topology to represent 2D carbon networks for accurate, interpretable ML modeling.
Global mapping of structures and properties ofcrystalmaterials.Journal of Chemical Information and Modeling, 63(12):3814–3826
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CARBON-2D Topological Descriptor (C2DTD): An Interpretable and Physics-Informed Representation for Two-Dimensional Carbon Networks
C2DTD is a new physics-informed topological descriptor that combines local geometry, radial structure, and primitive ring topology to represent 2D carbon networks for accurate, interpretable ML modeling.