Inverse-IMPRESSION reconstructs 2D molecular bonding from experimental 1H/13C NMR (COSY/HSQC/HMBC) with 77.8% Top-1 accuracy on simulated molecules (≤30 heavy atoms) and 53% (10/19) on experimental structures up to 480 Da.
pandas -dev/pandas: pandas (version 2.3.2)
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2026 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
Inverse-IMPRESSION: A Graph-based Platform for Molecular Structure Elucidation from Experimental NMR Spectroscopic Properties
Inverse-IMPRESSION reconstructs 2D molecular bonding from experimental 1H/13C NMR (COSY/HSQC/HMBC) with 77.8% Top-1 accuracy on simulated molecules (≤30 heavy atoms) and 53% (10/19) on experimental structures up to 480 Da.