Way cool! 'Nough said.
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Physics-based molecular fingerprints from spectral graph theory provide
efficient geometry-aware measures of chemical similarity
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Jacob W. Toney, Ayleen Y. Farnood, Samir Darouich and Heather J. Kulik
(2026)
Highlighted by Jan Jensen
This paper caught my attention for two reasons. F...
1 day ago
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