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Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers
ISSN: 1549-9626, 1549-9626Published: 14.12.2021Published 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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Image Processing and Machine Learning for Automated Identification of Chemo-/Biomarkers in Chromatography-Mass Spectrometry
ISSN: 1520-6882, 1520-6882Published: 09.11.2021Published 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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