A review of molecular representation in the age of machine learning

 

D. Wigh, J. Goodman, A. Lapkin

 

WIREs, 2022, 12, 5, e1603 (10.1002/wcms.1603) 

The effect of chemical representation on active machine learning towards closed-loop optimization

 

A. Pomberger, A.A. Pedrina McCarthy, A. Khan, S. Sung, C.J. Taylor, M.J. Gaunt, L. Colwell, D. Walz, A. Lapkin

 

React. Chem. Eng., 2022, 7, 1368-1379 (10.1039/D2RE00008C) 

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Automated pH Adjustment Driven by Robotic Workflows and Active Machine Learning

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A. Pomberger, N. Jose, D. Walz, J. Meissner, M. Kopczynski, P. Muller-Bischof, A. Lapkin 

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CEJ, 2022, 451, 4, 139099 (10.1016/j.cej.2022.139099)

Multicomponent Direct Assembly of N-Heterospirocycles Facilitated by Visible-Light-Driven Photocatalysis

 

O. Griffiths, S. Ley

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J. Org. Chem. 2022, 87, 19, 13204-13223 (10.1021/acs.joc.2c01684)

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