I agreeI declineChange my preferencesAccelerated Discovery RXN for Chemistry Predict reactions, find retrosynthesis pathways, and derive experimental procedures with RXN for Chemistry. Sign up Log in Log in with Google
RXN Chemistry demo 参考资料 Schwaller, P., Probst, D., Vaucher, A.C. et al. Mapping the space of chemical reactions using attention-based neural networks. Nat Mach Intell (2021). https://doi.org/10.1038/s42256-020-00284-w https://www.ibm.com/blogs/research/2021/01/roborxn-designs-m...
而IBM自三年前开始研发以机器学习来预测化学反应,经过内部开发,在2018年,IBM云端免费推出“RXN for Chemistry”服务,此RXN for Chemistry背后是应用神经机器学习翻译方法,以预测化学反应最有可能产生的生成物。 去年,IBM同意大利比萨大学进行合作,在工具中整合逆向合成架构,根据香港IDC新天域互联获悉,也就是说,该系统现...