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Reaction Dataset

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2 results in Keywords: Reaction Dataset

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Category: Chemical Engineering and Industrial Chemistry

Noise Analysis and Data Refinement for Chemical Reactions from US Patents via Large Language Models

, Authors: Chaewon Lee, Shuan Chen, Kai Tzu-iunn Ong, Jinyoung Yeo, Yousung Jung

Version 1 posted 30 October 2024

240

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Category: Theoretical and Computational Chemistry

HEPOM: Using Graph Neural Networks for the accelerated predictions of Hydrolysis Free Energies in different pH conditions.

, Authors: Rishabh D. Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell Venetos, Ryan Kingsbury, Mingjian Wen, Samuel Blau, Kristin A. Persson

Version 1 posted 28 November 2024

63

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ISSN 2573-2293 (Online) ChemRxiv Archive

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