نتائج البحث

Chimera: Accurate retrosynthesis prediction by ensembling models with diverse inductive biases

• Authors : Maziarz, Krzysztof; Liu, Guoqing; Misztela, Hubert

Subjects: Computer Science - Machine Learning; Computer Science - Artificial Intelligence; Quantitative Biology - Quantitative Methods

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Comparative analysis of retrosynthesis applications for predicting of pathways for plant Secondary metabolite production

• Authors : Nilay Yonet; Selcen Ari Yuka; Musa Turker

Subjects: Secondary metabolites; retrosynthesis applications; synthetic biology

• Source: Biotechnology & Biotechnological Equipment, Vol 38, Iss 1 (2024)

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Uni-Electrolyte: An Artificial Intelligence Platform for Designing Electrolyte Molecules for Rechargeable Batteries

• Authors : Chen, Xiang; Liu, Mingkang; Yin, Shiqiu

Subjects: Condensed Matter - Materials Science

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Hierarchical Framework for Retrosynthesis Prediction with Enhanced Reaction Center Localization

• Authors : Yun, Seongeun; Lee, Won Bo

Subjects: Physics - Chemical Physics

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

• Authors : Vangala SR; TCS Research (Life Sciences Division), Tata Consultancy Services Limited, Hyderabad, 500081, India.; Krishnan SR

• Source: Journal of cheminformatics [J Cheminform] 2024 Nov 26; Vol. 16 (1), pp. 131. Date of Electronic Publication: 2024 Nov 26.Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946

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

• Authors : Sarveswara Rao Vangala; Sowmya Ramaswamy Krishnan; Navneet Bung

Subjects: Large language models; Reaction mining; Patents

• Source: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-13 (2024)

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Metallaphotocatalytic triple couplings for modular synthesis of elaborate N-trifluoroalkyl anilines

• Authors : Ting Zhou; Zhong-Wei Zhang; Jing Nie

Subjects: Science

• Source: Nature Communications, Vol 15, Iss 1, Pp 1-13 (2024)

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Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge

• Authors : Noh, Heewoong; Lee, Namkyeong; Na, Gyoung S.

Subjects: Computer Science - Machine Learning; Computer Science - Artificial Intelligence

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Disconnection Rules are Complete for Chemical Reactions

• Authors : Gale, Ella; Lobski, Leo; Zanasi, Fabio

Subjects: Computer Science - Logic in Computer Science; Mathematics - Category Theory; 05C92

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Computer-Aided Retrosynthesis for Greener and Optimal Total Synthesis of a Helicase-Primase Inhibitor Active Pharmaceutical Ingredient

• Authors : Rodolfo I. Teixeira; Michael Andresini; Renzo Luisi

Subjects: Chemistry; QD1-999

• Source: JACS Au, Vol 4, Iss 11, Pp 4263-4272 (2024)

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