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. |
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| 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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| ISSN: | 1367-4811 |
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| DOI: | 10.1093/bioinformatics/btad713 |
