De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach
Due to their potential in the treatment of neurodegenerative diseases, caspase-6 inhibitors have attracted widespread attention. However, the existing caspase-6 inhibitors showed more or less inevitable deficiencies that restrict their clinical development and applications. Therefore, there is an ur...
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Main Authors: | Shuheng Huang (Author), Hu Mei (Author), Laichun Lu (Author), Minyao Qiu (Author), Xiaoqi Liang (Author), Lei Xu (Author), Zuyin Kuang (Author), Yu Heng (Author), Xianchao Pan (Author) |
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Format: | Book |
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MDPI AG,
2021-11-01T00:00:00Z.
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Online Access: | Connect to this object online. |
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