In this representation, atoms with assigned labels are organized into subgraphs, and the colored edges between them represent atom-specific interactions.
This paper is available on arxiv under CC 4.0 license. Authors: Md Masud Rana, Department of Mathematics, University of Kentucky; Duc Duy Nguyen, Department of Mathematics, University of Kentucky & [email protected]. Table of Links Abstract & Introduction Datasets and Results Methods Conclusion, Data and Software Availability, Competing interests, Acknowledgments & References 3 Methods 3.
These features encompass diverse chemical and biological properties, such as the presence of specific interatomic interactions involving oxygen and nitrogen atoms, the hydrophobic nature of certain regions, and the ability of atoms to undergo polarization, among other relevant molecular characteristics.
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