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Autor:
Alejandro Varela-Rial, Iain Maryanow, Maciej Majewski, Stefan Doerr, Nikolai Schapin, José Jiménez-Luna, Gianni De Fabritiis
Publikováno v:
Journal of Chemical Information and Modeling
Deep learning has been successfully applied to structure-based protein-ligand affinity prediction, yet the black box nature of these models raises some questions. In a previous study, we presented KDEEP, a convolutional neural network that predicted
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d883c397f29fcb37c5a46ddfd4a0cbb
http://hdl.handle.net/10230/52307
http://hdl.handle.net/10230/52307
