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  1. 1

    Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers by Tsubaki, Masashi, Mizoguchi, Teruyasu

    ISSN: 1549-9626, 1549-9626
    Published: 14.12.2021
    Published in Journal of chemical theory and computation (14.12.2021)
    “…In this study, we propose a physically informed transfer learning approach for materials informatics (MI) using a quantum deep descriptor (QDD) obtained from…”
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    Journal Article
  2. 2

    Image Processing and Machine Learning for Automated Identification of Chemo-/Biomarkers in Chromatography-Mass Spectrometry by Jirayupat, Chaiyanut, Nagashima, Kazuki, Hosomi, Takuro, Takahashi, Tsunaki, Tanaka, Wataru, Samransuksamer, Benjarong, Zhang, Guozhu, Liu, Jiangyang, Kanai, Masaki, Yanagida, Takeshi

    ISSN: 1520-6882, 1520-6882
    Published: 09.11.2021
    Published in Analytical chemistry (Washington) (09.11.2021)
    “…We present a method named NPFimg, which automatically identifies multivariate chemo-/biomarker features of analytes in chromatography-mass spectrometry (MS)…”
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    Journal Article