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Isosteroidal Alkaloids from Fritillaria verticillata Willd. and Their NMR Spectroscopic Characteristics

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Synthesis, DFT calculations, and molecular docking of phthalimide-triazole based p-tert -butylcalix[4]arene derivative and its analogue with antimicrobial, antiquorum-sensing, and antibiofilm properties

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Hybrid Deep Learning Model for EI-MS Spectra Prediction

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IJMS, 2026, 27, 1588
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Glycan Shape, Motions, and Interactions Explored by NMR Spectroscopy

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JACS Au, 2024, 4, 20
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Transfer learning graph representations of molecules for pKa, 13C-NMR, and solubility

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In Situ NMR Spectroscopy and Kinetic Modeling Reveal Pathways and Approaches to Controlling Selectivity in Acid-Catalyzed Furfural Oxidation

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Automated nuclear magnetic resonance fingerprinting of mixtures

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Magnetic Reson in Chemistry, 2024, 62, 286
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Impact of dispersion correction in DFT-enhanced anisotropic NMR for stereochemical elucidation of flexible marine natural products

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Mar Life Sci Technol, 2025, 7, 890
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Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization–Mass Spectrometry

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Anal. Chem., 2023, 95, 2653
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