Articles with "spectra dataset" as a keyword



IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic molecules

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Published in 2025 at "Scientific Data"

DOI: 10.1038/s41597-025-05729-8

Abstract: The construction of predictive models in molecular science increasingly relies on large, high-quality datasets. Synthetic data generation is becoming a foundational strategy for advancing model accuracy and enabling fast discovery workflows. To support the development… read more here.

Keywords: spectra dataset; organic molecules; dataset 177k; multimodal computational ... See more keywords

A Simulated Comprehensive Photon Flux Shielding Spectra Dataset for Advanced Radiation Safety Assessment

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Published in 2025 at "Scientific Data"

DOI: 10.1038/s41597-025-05814-y

Abstract: Nuclear technology plays a pivotal role in global development, especially as a cornerstone of sustainable innovation. However, nuclear reactions emit high-energy photons and pose significant risks to human health and safety. Accurate radiation hazard assessments… read more here.

Keywords: photon flux; spectra dataset; radiation; safety ... See more keywords