Librarian of Alexandria: A Modular Chemical Data Extraction Pipeline to Compare LLM Performance. [PDF]
Grougan M +3 more
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SphereDiff-TS: Sphere Space Diffusion Modeling for Accurate 3D Transition State Geometry Prediction. [PDF]
Zhao C +8 more
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Recent advances in computational antimicrobial peptide discovery through big data, modeling, and artificial intelligence and their interplay in ushering the next golden era of drug development. [PDF]
Ibisanmi TA +3 more
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Novel temperature-based spectral topological indices for QSPR modeling of polyacenes in predicting physicochemical properties. [PDF]
Hayat S, Alanazi SJF, Belay MB, Wang S.
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Magnetic QCA Design: Modeling, Simulations and Circuits [PDF]
Graziano, Mariagrazia +2 more
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Machine Learning in Non-fullerene Organic Solar Cells: Accelerating Discovery, Design, and Understanding. [PDF]
Das B, Mondal A.
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<i>De Novo</i> Design of Protein-Binding Peptides by Quantum Computing. [PDF]
Meuser L, Patsilinakos A, Faccioli P.
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Donor Intra-Center Absorption to Resonant States in Quantum Wells: Analysis of Peak Shapes. [PDF]
Akimov V +9 more
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Hybrid Deep Learning Model for EI-MS Spectra Prediction. [PDF]
Majewski B, Łabuda M.
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Complex soliton wave patterns of Gross-Pitaevskii systems: application in quantum and optical engineering. [PDF]
Bilal M +5 more
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