"Electron density-based GPT for optimization and suggestion of host-guest ..."

Juan Manuel Parrilla Gutierrez et al. (2024)

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DOI: 10.1038/S43588-024-00602-X

access: open

type: Journal Article

metadata version: 2024-10-06

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Juan Manuel Parrilla Gutierrez, Jaroslaw M. Granda, Jean-François Ayme, Michal D. Bajczyk, Liam Wilbraham, Leroy Cronin:
Electron density-based GPT for optimization and suggestion of host-guest binders. Nat. Comput. Sci. 4(3): 200-209 (2024)

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