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Transfer learning across different chemical domains: virtual screening of organic materials with deep learning models pretrained on small molecule and chemical reaction data.
Zhang, Chengwei; Zhai, Yushuang; Gong, Ziyang; Duan, Hongliang; She, Yuan-Bin; Yang, Yun-Fang; Su, An.
Afiliación
  • Zhang C; State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Key Laboratory of Green Chemistry-Synthesis Technology of Zhejiang Province, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China.
  • Zhai Y; State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Key Laboratory of Green Chemistry-Synthesis Technology of Zhejiang Province, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China.
  • Gong Z; Key Laboratory of Pharmaceutical Engineering of Zhejiang Province, Key Laboratory for Green Pharmaceutical Technologies and Related Equipment of Ministry of Education, Collaborative Innovation Center of Yangtze River Delta Region Green Pharmaceuticals, Zhejiang University of Technology, Hangzhou, 31
  • Duan H; Faculty of Applied Sciences, Macao Polytechnic University, Macao, 999078, China.
  • She YB; State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Key Laboratory of Green Chemistry-Synthesis Technology of Zhejiang Province, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China.
  • Yang YF; State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Key Laboratory of Green Chemistry-Synthesis Technology of Zhejiang Province, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China.
  • Su A; State Key Laboratory Breeding Base of Green Chemistry-Synthesis Technology, Key Laboratory of Green Chemistry-Synthesis Technology of Zhejiang Province, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014, Zhejiang, China. ansu@zjut.edu.cn.
J Cheminform ; 16(1): 89, 2024 Jul 30.
Article en En | MEDLINE | ID: mdl-39080777
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Cheminform Año: 2024 Tipo del documento: Article País de afiliación: China
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Idioma: En Revista: J Cheminform Año: 2024 Tipo del documento: Article País de afiliación: China