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Physics-based molecular fingerprints from spectral graph theory provide efficient geometry-aware measures of chemical similarity.
Author / Organization: Toney JW, Farnood AY, Darouich S, Kulik HJ
| File Format | PDF (Portable Document Format) |
|---|---|
| Publication Year | 2026 |
| Source Host |
PubMed Central
(pmc.ncbi.nlm.nih.gov)
|
| License / Terms | Open Access / Creative Commons |
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