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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

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Shira D. Shamis

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Open access Aug 2026

1H NMR-Based Framework for Estimating Molecular Formation Enthalpies of Organic Compounds

We report a method for estimating standard enthalpies of formation (ΔHf°) directly from routine 1H NMR spectra. By combining spectral features with heteroatom-based functional motifs, accurate models were obtained (R2 ≈ 0.99; RMSE ≈ 5.5 kcal mol–1). The predictive performance was consistent across multiple validation...

Daniel Konnikov, Shira D. Shamis, Keren Iudanov et al. · 0 citations

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