Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
利用基于Transformer的模型和超图探索策略预测逆合成路径
期刊:Chemical Science
影响因子:7.4
doi:10.1039/c9sc05704h
Schwaller, Philippe; Petraglia, Riccardo; Zullo, Valerio; Nair, Vishnu H; Haeuselmann, Rico Andreas; Pisoni, Riccardo; Bekas, Costas; Iuliano, Anna; Laino, Teodoro