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Enzyformer: a two-stage pretrained model for enzymatic retrosynthesis

Abstract Although enzymatic retrosynthesis planning is widely used to accelerate drug synthesis and discovery, it still faces key challenges, including limited knowledge transfer from general chemical space and incomplete EC number prediction. Here, we introduce Enzyformer, an innovative model that...

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I tiakina i:
Ngā taipitopito rārangi puna kōrero
Ngā kaituhi matua: Tiantao Liu, Jiangcheng Xu, Xinke Zhan, Shaolong Lin, Shirley W. I. Siu
Hōputu: Artigo
Reo:Inglês
I whakaputaina: BMC 2026-02-01
Rangatū:Journal of Cheminformatics
Ngā marau:
Urunga tuihono:https://doi.org/10.1186/s13321-026-01164-y
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