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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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Organic Chemistry

Working Paper

The Effect of Chemical Representation on Active Machine Learning Towards Closed-Loop Optimization

Alexander Pomberger, Antonio Pedrina McCarthy, Ahmad Khan, Simon Sung, Connor Taylor, Matthew Gaunt, Lucy Colwell, David Walz, Alexei Lapkin

Version 2 posted 17 January 2022

634

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1

Citations

Physical Chemistry

Working Paper

ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

Kobi Felton, Lukas Rasßpe-Lange, Jan Rittig, Kai Leonhard, Alexander Mitsos, Julian Meyer-Kirschner, Carsten Knösche, Alexei Lapkin

Version 1 posted 08 May 2023

527

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2

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

Efficient Surrogates Construction of Chemical Processes: Case studies on Pressure Swing Adsorption and Gas-to-Liquids

Zhimian Hao, Chonghuan Zhang, Alexei Lapkin

Version 1 posted 07 October 2021

195

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Chemical Engineering and Industrial Chemistry

Working Paper

Accelerating Net Zero from the perspective of Optimizing a Carbon Capture and Utilization System

Zhimian Hao, Magda Barecka, Alexei Lapkin

Version 1 posted 22 December 2021

193

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Chemical Engineering and Industrial Chemistry

Working Paper

Automated pH Adjustment Driven by Robotic Workflows and Active Machine Learning

Alexander Pomberger, Nicholas Jose, David Walz, Jens Meissner, Christian Holtze, Matthaeus Kopczynski, Philipp Müller-Bischof, Alexei Lapkin

Version 1 posted 08 August 2022

214

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Organic Chemistry

Working Paper

Exploration of bioinformatic domain based on data mining, reaction and enzyme promiscuity predictions

Chonghuan Zhang, Qianyue Zhang, Alexei Lapkin

Version 1 posted 11 July 2023

138

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Organic Chemistry

Working Paper

Reaction impurity prediction using a data mining approach

Adarsh Arun, Zhen Guo, Simon Sung, Alexei Lapkin

Version 1 posted 06 July 2022

510

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Materials Science

Working Paper

Pushing Nanomaterials past the Kilogram Scale—a Targeted Approach Integrating Scalable Microreactors, Machine Learning and High-Throughput Analysis

Nicholas Jose, mikhail Kovalev, Eric Bradford, Artur Schweidtmann, Hua Chun Zeng, Alexei Lapkin

Version 1 posted 30 July 2020

493

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Refine Search

26 results in Alexei A. Lapkin in Authors: Alexei A. Lapkin

Identifying Physico-Chemical Laws from the Robotically Collected Data

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

The Effect of Chemical Representation on Active Machine Learning Towards Closed-Loop Optimization

ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

Efficient Surrogates Construction of Chemical Processes: Case studies on Pressure Swing Adsorption and Gas-to-Liquids

Accelerating Net Zero from the perspective of Optimizing a Carbon Capture and Utilization System

Automated pH Adjustment Driven by Robotic Workflows and Active Machine Learning

Exploration of bioinformatic domain based on data mining, reaction and enzyme promiscuity predictions

Reaction impurity prediction using a data mining approach

Pushing Nanomaterials past the Kilogram Scale—a Targeted Approach Integrating Scalable Microreactors, Machine Learning and High-Throughput Analysis

26 results in Authors: Alexei A. Lapkin