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Updated: Nov 21, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs

Dmytro G Krotko1,2

  • 1Enamine Ltd, 78 Chervonotkatska Street, Kyiv, 02094, Ukraine. d.krotko@gmail.com.

Journal of Cheminformatics
|January 12, 2021
PubMed

Keywords:
CanonicalizationMolecular graphsSMILESSymmetry perception

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