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Autor:
Alexander Zhebrak, Denis Kuzminykh, Alex Zhavoronkov, Rim Shayakhmetov, Ivan Baskov, Sergey I. Nikolenko, Daniil Polykovskiy, Artur Kadurin
Publikováno v:
Molecular pharmaceutics. 15(10)
Convolutional neural networks (CNN) have been successfully used to handle three-dimensional data and are a natural match for data with spatial structure such as 3D molecular structures. However, a direct 3D representation of a molecule with atoms loc