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deepFPlearn +: enhancing toxicity prediction across the chemical universe using graph neural networks.

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Title: deepFPlearn +: enhancing toxicity prediction across the chemical universe using graph neural networks.
Authors: Soulios K; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.; Department of Computer Science, Faculty of Mathematics and Computer Science, University of Leipzig, 04109 Leipzig, Germany., Scheibe P; Department of Neurophysics, Max Planck Institute for Human Cognitive and Brain Sciences, 04103 Leipzig, Saxony, Germany., Bernt M; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany., Hackermüller J; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.; Department of Computer Science, Faculty of Mathematics and Computer Science, University of Leipzig, 04109 Leipzig, Germany., Schor J; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.
Source: Bioinformatics (Oxford, England) [Bioinformatics] 2023 Dec 01; Vol. 39 (12).
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Oxford University Press Country of Publication: England NLM ID: 9808944 Publication Model: Print Cited Medium: Internet ISSN: 1367-4811 (Electronic) Linking ISSN: 13674803 NLM ISO Abbreviation: Bioinformatics Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Soulios+K%22">Soulios K</searchLink>; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.; Department of Computer Science, Faculty of Mathematics and Computer Science, University of Leipzig, 04109 Leipzig, Germany.<br /><searchLink fieldCode="AU" term="%22Scheibe+P%22">Scheibe P</searchLink>; Department of Neurophysics, Max Planck Institute for Human Cognitive and Brain Sciences, 04103 Leipzig, Saxony, Germany.<br /><searchLink fieldCode="AU" term="%22Bernt+M%22">Bernt M</searchLink>; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.<br /><searchLink fieldCode="AU" term="%22Hackermüller+J%22">Hackermüller J</searchLink>; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.; Department of Computer Science, Faculty of Mathematics and Computer Science, University of Leipzig, 04109 Leipzig, Germany.<br /><searchLink fieldCode="AU" term="%22Schor+J%22">Schor J</searchLink>; Department of Computation Biology, Helmholtz Centre for Environmental Research - UFZ, 04318 Leipzig, Germany.
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        Value: 10.1093/bioinformatics/btad713
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