Publications

Datengetriebene Reaktionsoptimierung in der Prozesschemie

Dr. Alexander Pomberger

chemie.de

February 20, 2026

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Data-Driven Reaction Optimization in Process Chemistry

Dr. Alexander Pomberger

chemeurope.com

February 20, 2026

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Continuous Telescopic Synthesis and Optimization of Sudan Yellow-3G in AmarFLO Reactors using ReactWise.

Mr. Chinmay Sharma, Mr. Darshan Chheda, Dr. Kaiman Cheung, Mr. Abhinandan Chopada, Mr. Divyam Patel, Dr. Daniel Wigh, Dr. Chandrakanth Gadipelly, and Dr. Alexander Pomberger.

ChemRxiv

October 7, 2025

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ORDerly: Datasets and benchmarks for chemical reaction data.

Daniel S. Wigh, Joe Arrowsmith, Alexander Pomberger, Kobi C. Felton, and Alexei A. Lapkin.

Journal of Chemical Information and Modeling

April 22, 2024

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Accelerated chemical reaction optimization using multi-task learning.

Connor J. Taylor, Kobi C. Felton, Daniel Wigh, Mohammed I. Jeraal, Rachel Grainger, Gianni Chessari, Christopher N. Johnson, and Alexei A. Lapkin.

ACS Central Science

April 13, 2023

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Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm.

Daniel S. Wigh, Matthieu Tissot, Patrick Pasau, Jonathan M. Goodman, and Alexei A. Lapkin.

The Journal of Physical Chemistry

March 14, 2023

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A Brief Introduction to Chemical Reaction Optimization.

Connor J. Taylor, Alexander Pomberger, Kobi C. Felton, Rachel Grainger, Magda Barecka, Thomas W. Chamberlain, Richard A. Bourne, Christopher N. Johnson, and Alexei A. Lapkin.

Chemical Reviews

February 23, 2023

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Automated ph adjustment driven by robotic workflows and active machine learning.

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

Chemical Engineering Journal

January 1, 2023

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

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

Reaction Chemistry & Engineering

March 11, 2022

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