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reaction yield prediction

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3 results in Keywords: reaction yield prediction

Theoretical and Computational Chemistry

Kernel Methods for Predicting Yields of Chemical Reactions

Alexe Haywood, Joseph Redshaw, Magnus Hanson-Heine, Adam Taylor, Alex Brown, Andy Mason, Thomas Gaertner, Jonathan Hirst

Version 1 posted 01 April 2021

934

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Chemical Engineering and Industrial Chemistry

Guidelines for Machine Learning Yield Prediction from Small-Size Literature Dataset

Jules Schleinitz, Maxime Langevin, Yanis Smail, Benjamin Wehnert, Laurence Grimaud, Rodolphe Vuilleumier

Version 2 posted 18 May 2022

1,180

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Theoretical and Computational Chemistry

Reaxtica: A knowledge-guided machine learning platform for fast and accurate reaction selectivity and yield prediction

Kangjie Lin, Junren Li, Haoyu Lin, Jianfeng Pei, Luhua Lai

Version 2 posted 30 August 2022

1,283

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1

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