De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach

• 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)
• Format: Book
• Published: MDPI AG, 2021-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...