Predicting compound activity from phenotypic profiles and chemical structures
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DOI: 10.1038/s41467-023-37570-1
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- Kristof T. Schütt & Farhad Arbabzadah & Stefan Chmiela & Klaus R. Müller & Alexandre Tkatchenko, 2017. "Quantum-chemical insights from deep tensor neural networks," Nature Communications, Nature, vol. 8(1), pages 1-8, April.
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