From theory to experiment: transformer-based generation enables rapid discovery of novel reactions
Abstract Deep learning methods, such as reaction prediction and retrosynthesis analysis, have demonstrated their significance in the chemical field. However, the de novo generation of novel reactions using artificial intelligence technology requires further exploration. Inspired by molecular generat...
Main Authors: | Xinqiao Wang, Chuansheng Yao, Yun Zhang, Jiahui Yu, Haoran Qiao, Chengyun Zhang, Yejian Wu, Renren Bai, Hongliang Duan |
---|---|
Format: | Article |
Language: | English |
Published: |
BMC
2022-09-01
|
Series: | Journal of Cheminformatics |
Subjects: | |
Online Access: | https://doi.org/10.1186/s13321-022-00638-z |
Similar Items
-
A challenging Heck reaction of maleimides
by: Lim, Li Hui, et al.
Published: (2018) -
MCM-41 supported palladium(II)-imine complexes : catalyst-for heck reaction /
by: 411877 Suhaila Borhamdin, et al.
Published: (2004) -
Synthesis, characterization and catalytic activity of palladium(II) aroylhydrazone complexes in mizoroki-heck reaction /
by: Nur Hafizah Hassan, 1989-, et al.
Published: (2015) -
Synthesis, characterization and catalytic activity of palladium(II) aroylhydrazone complexes in mizoroki-heck reaction [electronic resource] /
by: Nur Hafizah Hassan, 1989-, et al.
Published: (2015) -
Catalytic mizoroki-heck reactions over palladium (II) schiff base complexes in homogeneous and heterogeneous polyaniline supported systems /
by: Siti Kamilah Che Soh, 1984-, et al.
Published: (2013)