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Accelerated Chemical Reaction Optimization using Multi-Task Learning

Connor Taylor, Kobi Felton, Daniel Wigh, Mohammed Jeraal, Rachel Grainger, Gianni Chessari, Christopher Johnson, Alexei Lapkin

Version 1 posted 30 January 2023

514

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Chemical Engineering and Industrial Chemistry

Working Paper

A Universal Framework for Fast, Flexible and Fun(ctional) Autonomous Laboratories

Nicholas A. Jose, Peace Adesina, Kevin Ballu, Aniket Chitre, Dogancan Karan, Anna Katsarou, Alexander Pomberger, Song Zhai, Alexei Lapkin

Version 1 posted 23 April 2024

155

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Organic Chemistry

Working Paper

Completing and balancing database excerpted chemical reactions with a hybrid mechanistic - machine learning approach

Chonghuan Zhang, Adarsh Arun, Alexei Lapkin

Version 1 posted 20 July 2023

240

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Chemical Engineering and Industrial Chemistry

Working Paper

Life cycle assessment of a process for paracetamol flow synthesis from bio-waste derived β-pinene

Sabine Hallamasek, Veera Ubbenjans, Alexei Lapkin

Version 1 posted 01 March 2024

172

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Chemical Engineering and Industrial Chemistry

Working Paper

Performance of a DOW BW30 RO membrane for the separation of nopinone from methanol-water solvent

Sabine Hallamasek, Viatcheslav Freger, Alexei Lapkin

Version 1 posted 29 February 2024

82

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Theoretical and Computational Chemistry

Working Paper

ORDerly: Datasets and benchmarks for chemical reaction data

Daniel Wigh, Joe Arrowsmith, Alexander Pomberger, Kobi Felton, Alexei Lapkin

Version 2 posted 30 August 2023

1,311

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Chemical Engineering and Industrial Chemistry

Working Paper

Multi-objective Bayesian optimisation using q-Noisy Expected Hypervolume Improvement (qNEHVI) for Schotten-Baumann reaction

Jiyizhe Zhang, Naoto Sugisawa, Kobi Felton, Shinichiro Fuse, Alexei Lapkin

Version 1 posted 26 September 2023

317

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Theoretical and Computational Chemistry

Working Paper

Identifying Physico-Chemical Laws from the Robotically Collected Data

Liwei Cao, Danilo Russo, Vassilios S. Vassiliadis, Alexei Lapkin

Version 1 posted 03 July 2019

693

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Chemical Engineering and Industrial Chemistry

Working Paper

Identification of Strategic Molecules for Future Circular Supply Chains Using Large Reaction Networks

Jana Weber, Pietro Lio’, Alexei Lapkin

Version 1 posted 03 July 2019

1,010

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Materials Science

Working Paper

Continuous Synthesis of Doped Layered Double Hydroxides in a Meso-Scale Flow Reactor

Polina Yaseneva, Nan An, Matt Finn, Nicholas Tidemann, Nicholas Jose, Adelina Voutchkova-Kostal, Alexei Lapkin

Version 1 posted 29 August 2018

941

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26 results in Alexei Lapkin in Authors: Alexei Lapkin

Accelerated Chemical Reaction Optimization using Multi-Task Learning

A Universal Framework for Fast, Flexible and Fun(ctional) Autonomous Laboratories

Completing and balancing database excerpted chemical reactions with a hybrid mechanistic - machine learning approach

Life cycle assessment of a process for paracetamol flow synthesis from bio-waste derived β-pinene

Performance of a DOW BW30 RO membrane for the separation of nopinone from methanol-water solvent

ORDerly: Datasets and benchmarks for chemical reaction data

Multi-objective Bayesian optimisation using q-Noisy Expected Hypervolume Improvement (qNEHVI) for Schotten-Baumann reaction

Identifying Physico-Chemical Laws from the Robotically Collected Data

Identification of Strategic Molecules for Future Circular Supply Chains Using Large Reaction Networks

Continuous Synthesis of Doped Layered Double Hydroxides in a Meso-Scale Flow Reactor

26 results in Authors: Alexei Lapkin