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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

1,481

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2

Citations

Organic Chemistry

Working Paper

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Kobi Felton, Jan Rittig, Alexei Lapkin

Version 2 posted 01 December 2020

1,546

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1

Citations

Organic Chemistry

Working Paper

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

558

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Chemical Engineering and Industrial Chemistry

Working Paper

Hybridizing organic chemistry and synthetic biology reaction networks for optimizing synthesis routes

Chonghuan Zhang, Alexei Lapkin

Version 1 posted 18 January 2022

541

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2

Citations

Chemical Engineering and Industrial Chemistry

Working Paper

pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML

Aniket Chitre, Jayce Cheng, Sarfaraz Ahmed, Robert Querimit, Kedar Hippalgaonkar, Alexei Lapkin

Version 1 posted 18 August 2023

231

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1

Citations

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

285

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1

Citations

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

361

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Chemical Engineering and Industrial Chemistry

Working Paper

Multi-objective reaction optimization under uncertainties using expected quantile improvement

Jiyizhe Zhang, Daria Semochkina, Naoto Sugisawa, David Woods, Alexei Lapkin

Version 1 posted 29 July 2024

160

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Chemical Engineering and Industrial Chemistry

Working Paper

Machine Learning-Guided Space-filling Designs for High Throughput Liquid Formulations Development

Aniket Chitre, David Woods, Alexei Lapkin

Version 1 posted 17 June 2024

268

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1

Citations

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

1,679

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

Prediction of Chemical Reactions Using Statistical Models of Chemical Knowledge

Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

Accelerated Chemical Reaction Optimization using Multi-Task Learning

Hybridizing organic chemistry and synthetic biology reaction networks for optimizing synthesis routes

pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML

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

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

Multi-objective reaction optimization under uncertainties using expected quantile improvement

Machine Learning-Guided Space-filling Designs for High Throughput Liquid Formulations Development

ORDerly: Datasets and benchmarks for chemical reaction data

29 results in Authors: Alexei A. Lapkin