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Academic Journal

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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Academic Journal

AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application.

Authors : Saigiridharan, Lakshidaa¹ (AUTHOR) ; Hassen, Alan Kai² (AUTHOR); Lai, Helen³ (AUTHOR)

Source: Journal of Cheminformatics. 5/23/2024, Vol. 16, p1-11. 11p.

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Academic Journal

Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature.

Authors : Vangala, Sarveswara Rao¹ (AUTHOR); Krishnan, Sowmya Ramaswamy¹ (AUTHOR); Bung, Navneet¹ (AUTHOR)

Source: Journal of Cheminformatics. 11/26/2024, Vol. 16 Issue 1, p1-13. 13p.

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Academic Journal

AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry.

Authors : Chen, Lung-Yi¹ (AUTHOR); Li, Yi-Pei^1,2 (AUTHOR)

Source: Journal of Cheminformatics. 6/27/2024, Vol. 16 Issue 1, p1-16. 16p.

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Academic Journal

Innovation and Team Spirit: The Magic of Science Competitions Seen through the Lens of the Compound Challenge.

Authors : Seipp, Charles A.¹ (AUTHOR); Monks, Brendan Michael² (AUTHOR); Karnysh, Iuliia¹ (AUTHOR)

Source: Angewandte Chemie International Edition. 3/22/2024, Vol. 63 Issue 13, p1-7. 7p.

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Academic Journal

Efficient retrosynthetic planning with MCTS exploration enhanced A* search.

Authors : Zhao, Dengwei¹ (AUTHOR); Tu, Shikui¹ (AUTHOR) ; Xu, Lei^1,2 (AUTHOR)

Source: Communications Chemistry. 3/7/2024, Vol. 7 Issue 1, p1-12. 12p.

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Academic Journal

Innovation and Team Spirit: The Magic of Science Competitions Seen through the Lens of the Compound Challenge.

Authors : Seipp, Charles A.¹ (AUTHOR); Monks, Brendan Michael² (AUTHOR); Karnysh, Iuliia¹ (AUTHOR)

Source: Angewandte Chemie. Feb2024, p1. 8p. 3 Illustrations.

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Academic Journal

Differentially Protected Glycols from α‐Halo Boronic Esters and Lithiated Benzoates.

Authors : Bojaryn, K.¹ (AUTHOR); Hirschhäuser, C.¹ (AUTHOR)

Source: European Journal of Organic Chemistry. 1/15/2024, Vol. 27 Issue 3, p1-6. 6p.

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Academic Journal

Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.

Authors : Li, Zoe¹ (AUTHOR) ; Huang, Ruili² (AUTHOR) ; Xia, Menghang² (AUTHOR)

Source: Biomolecules (2218-273X). Jan2024, Vol. 14 Issue 1, p72. 12p.

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Academic Journal

Front Cover: Differentially Protected Glycols from α‐Halo Boronic Esters and Lithiated Benzoates (Eur. J. Org. Chem. 3/2024).

Authors : Bojaryn, K.¹ (AUTHOR); Hirschhäuser, C.¹ (AUTHOR)

Source: European Journal of Organic Chemistry. 1/15/2024, Vol. 27 Issue 3, p1-1. 1p.

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فلترة النتائج

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

AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application.

Suitability of large language models for extraction of high-quality chemical reaction dataset from patent literature.

AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry.

Innovation and Team Spirit: The Magic of Science Competitions Seen through the Lens of the Compound Challenge.

Efficient retrosynthetic planning with MCTS exploration enhanced A* search.

Innovation and Team Spirit: The Magic of Science Competitions Seen through the Lens of the Compound Challenge.

Differentially Protected Glycols from α‐Halo Boronic Esters and Lithiated Benzoates.

Fingerprinting Interactions between Proteins and Ligands for Facilitating Machine Learning in Drug Discovery.

Front Cover: Differentially Protected Glycols from α‐Halo Boronic Esters and Lithiated Benzoates (Eur. J. Org. Chem. 3/2024).

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