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    Single-step retrosynthesis prediction via multitask graph representation learning by Peng-Cheng Zhao, Xue-Xin Wei, Qiong Wang, Qi-Hao Wang, Jia-Ning Li, Jie Shang, Cheng Lu, Jian-Yu Shi

    Published 2025-01-01
    “…It develops a multitask graph representation learning model for single-step retrosynthesis prediction (Retro-MTGR) to solve reaction centre deduction and LG identification simultaneously. …”
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