3D Molecular Representations Based on the Wave Transform for Convolutional Neural Networks.
作者： Denis Kuzminykh , Daniil Polykovskiy , Artur Kadurin , Alexander Zhebrak , Ivan Baskov
DOI: 10.1021/ACS.MOLPHARMACEUT.7B01134
关键词:
摘要: … next section, we show experimental evaluation of proposed 3D representation in detail and apply 3D convolutional autoencoders to learn embeddings of spatial molecular structures. …
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