Atomic Building Border Collie dog. Figure to assemble with nanoblocks. 950 pieces.

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Atomic Building Border Collie dog. Figure to assemble with nanoblocks. 950 pieces.

Atomic Building Border Collie dog. Figure to assemble with nanoblocks. 950 pieces.

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Yasonik, J. Multiobjective de novo drug design with recurrent neural networks and nondominated sorting. J. Cheminform. 2020, 12, 14. [ Google Scholar] [ CrossRef][ Green Version]

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Torjesen, I. Drug Development: The Journey of a Medicine from Lab to Shelf. Available online: https://www.pharmaceutical-journal.com/publications/tomorrows-pharmacist/drug-development-the-journey-of-a-medicine-from-lab-to-shelf/20068196.article?firstPass=false (accessed on 10 December 2020). Schneider, P.; Schneider, G. De Novo Design at the Edge of Chaos. J. Med. Chem. 2016, 59, 4077–4086. [ Google Scholar] [ CrossRef] [ PubMed] Miotto, R.; Wang, F.; Wang, S.; Jiang, X.; Dudley, J.T. Deep learning for healthcare: Review, opportunities and challenges. Brief. Bioinform. 2018, 19, 1236–1246. [ Google Scholar] [ CrossRef]GB energy is measured as the excess energy of a grain boundary relative to the bulk energy as a result of the irregular structure of the atoms in the GB. 12, 42 GB energy is a static property of the system measured at 0 K, and all atomistic structures examined in the machine learning are the 0 K structures associated with this calculation.

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Wolf, D. Structure-energy correlation for grain boundaries in FCC metals—III. Symmetrical tilt boundaries. Acta Metall. Mater. 38, 781–790 (1990). Authors: J. Gordon Betts, Kelly A. Young, James A. Wise, Eddie Johnson, Brandon Poe, Dean H. Kruse, Oksana Korol, Jody E. Johnson, Mark Womble, Peter DeSaix Sometimes, the sun will erupt in a solar flare, often resulting in the release of a coronal mass ejection. These violent solar eruptions can accelerate protons to high energies. Such "solar energetic particles" are pushed up to almost the speed of light as they race away from the sun, and are a radiation hazard to astronauts and passengers in high-altitude airliners. Photograph of Ernest Rutherford and Hans Geiger with their alpha particle counting apparatus. (Image credit: Science & Society Picture Library via Getty Images)



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