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Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment.

• Authors : Zeng, Kaipeng¹ (AUTHOR); Yang, Bo² (AUTHOR); Zhao, Xin¹ (AUTHOR)

• Source: Journal of Cheminformatics. 7/15/2024, Vol. 16 Issue 1, p1-16. 16p.

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Artificial Intelligence for Retrosynthesis Prediction

• Authors : Yinjie Jiang; Yemin Yu; Ming Kong

Subjects: Retrosynthesis prediction; Artificial intelligence; Graph neural networks

• Source: Engineering, Vol 25, Iss , Pp 32-50 (2023)

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RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking

• Authors : Junren Li; Lei Fang; Jian-Guang Lou

Subjects: Retrosynthesis; Re-ranking; Graph neural networks

• Source: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-13 (2023)

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RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking.

• Authors : Li, Junren¹ (AUTHOR); Fang, Lei² (AUTHOR) ; Lou, Jian-Guang² (AUTHOR)

• Source: Journal of Cheminformatics. 6/8/2023, Vol. 15 Issue 1, p1-13. 13p.

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Graph-based neural networks for generation of synthetically accessible molecular structures ; Réseaux neuronaux à base de graphes pour la génération de structures moléculaires synthétiquement accessibles

• Authors : Akhmetshin, Tagir;

Subjects: Inverse Qsar; Retrosynthesis; Deep learning

• Source: https://theses.hal.science/tel-04208499 ; Cheminformatics. Université de Strasbourg; Kazanskij gosudarstvennyj universitet im. V. I. Ulʹânova (Kazanʹ), 2023. English. ⟨NNT :

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Réseaux neuronaux à base de graphes pour la génération de structures moléculaires synthétiquement accessibles ; Graph-based neural networks for generation of synthetically accessible molecular structures

• Authors : Akhmetshin, Tagir;

Subjects: Inverse Qsar; Rétrosynthèse; Apprentissage profond541; 004

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