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Organic Chemistry

Working Paper

Data-driven automatic synthesis planning: Synthesis routes of S-Zanubrutinib identified with CDI CASP

Zhen Guo, Akihiro Takada, Alexei Lapkin

Version 1 posted 03 December 2024

175

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Theoretical and Computational Chemistry

Working Paper

Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

Philipp-Maximilian Jacob, Alexei Lapkin

Version 1 posted 10 August 2018

1,492

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2

Citations

Organic Chemistry

Working Paper

In Silico Rationalisation of Selectivity and Reactivity in Pd-Catalysed C-H Activation Reactions

Liwei Cao, Mikhail Kabeshov, Steve Ley, Alexei Lapkin

Version 2 posted 03 June 2020

643

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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

981

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Organic Chemistry

Working Paper

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Kobi Felton, Jan Rittig, Alexei Lapkin

Version 2 posted 01 December 2020

1,572

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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

629

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2

Citations

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

554

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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

1,048

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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

737

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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

294

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Refine Search

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

Data-driven automatic synthesis planning: Synthesis routes of S-Zanubrutinib identified with CDI CASP

Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

In Silico Rationalisation of Selectivity and Reactivity in Pd-Catalysed C-H Activation Reactions

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

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

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

Reaction impurity prediction using a data mining approach

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

Identifying Physico-Chemical Laws from the Robotically Collected Data

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

31 results in Authors: Alexei A. Lapkin