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Synthesis of 2,6-diamino-5-[(2-substituted phenylamino)ethyl]pyrimidin-4(3h)-one as inhibitors of folate metabolizing enzymes

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John S Schreck, Connor W Coley, and Kyle JM Bishop · 2019

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Ewa P. Gajewska, Sara Szymkuć, Piotr Dittwald, Michał Startek, Oskar Popik, Jacek Mlynarski, and Bartosz A. Grzybowski · 2019

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Retro*: Learning retrosynthetic planning with neural guided A* search

Binghong Chen, Chengtao Li, Hanjun Dai, and Le Song · 2020

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Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy

Philippe Schwaller, Riccardo Petraglia, Valerio Zullo, Vishnu H Nair, Rico Andreas Haeuselmann, Riccardo Pisoni, Costas Bekas, Anna Iuliano, and Teodoro Laino · 2020

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Retrosynthesis prediction using an end-to-end graph generative architecture for molecular graph editing

Weihe Zhong, Ziduo Yang, and Calvin Yu-Chian Chen · 2023

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G 2 retro as a two-step graph generative models for retrosynthesis prediction

Ziqi Chen, Oluwatosin R Ayinde, James R Fuchs, Huan Sun, and Xia Ning · 2023

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Retrosynthetic planning with experience-guided monte carlo tree search

Siqi Hong, Hankz Hankui Zhuo, Kebing Jin, Guang Shao, and Zhanwen Zhou · 2023

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Retrosynthetic planning with dual value networks

Guoqing Liu, Di Xue, Shufang Xie, Yingce Xia, Austin Tripp, Krzysztof Maziarz, Marwin Segler, Tao Qin, Zongzhang Zhang, and Tie-Yan Liu · 2023

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Re-evaluating retrosynthesis algorithms with syntheseus

Original

Krzysztof Maziarz, Austin Tripp, Guoqing Liu, Megan Stanley, Shufang Xie, Piotr Gaiński, Philipp Seidl, and Marwin Segler · 2023

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