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De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach.
Huang, Shuheng; Mei, Hu; Lu, Laichun; Qiu, Minyao; Liang, Xiaoqi; Xu, Lei; Kuang, Zuyin; Heng, Yu; Pan, Xianchao.
Afiliación
  • Huang S; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Mei H; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Lu L; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Qiu M; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Liang X; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Xu L; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Kuang Z; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Heng Y; Key Laboratory of Biorheological Science and Technology (Ministry of Education), College of Bioengineering, Chongqing University, Chongqing 400044, China.
  • Pan X; Department of Medicinal Chemistry, School of Pharmacy, Southwest Medical University, Luzhou 646000, China.
Pharmaceuticals (Basel) ; 14(12)2021 Nov 30.
Article en En | MEDLINE | ID: mdl-34959651
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Pharmaceuticals (Basel) Año: 2021 Tipo del documento: Article País de afiliación: China
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Pharmaceuticals (Basel) Año: 2021 Tipo del documento: Article País de afiliación: China