Publications

Datengetriebene Reaktionsoptimierung in der Prozesschemie

Dr. Alexander Pomberger
chemie.de
February 20, 2026

Data-Driven Reaction Optimization in Process Chemistry

Dr. Alexander Pomberger
chemeurope.com
February 20, 2026

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

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

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

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

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

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

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