RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints

Abstract Retrosynthesis planning is a crucial task in organic synthesis, and deep-learning methods have enhanced and accelerated this process. With the advancement of the emergence of large language models, the demand for data is rapidly increasing. However, available retrosynthesis data are limited...

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Main Authors: Yafeng Deng, Xinda Zhao, Hanyu Sun, Yu Chen, Xiaorui Wang, Xi Xue, Liangning Li, Jianfei Song, Chang-Yu Hsieh, Tingjun Hou, Xiandao Pan, Taghrid Saad Alomar, Xiangyang Ji, Xiaojian Wang
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-025-62308-6
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