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Organic Chemistry

Working Paper

PhactorTM – a High Throughput Experimentation Management System

Tim Cernak, Babak Mahjour

Version 1 posted 30 October 2020

1,629

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4

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Theoretical and Computational Chemistry

Working Paper

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Steven Torrisi, Matthew Carbone, Brian Rohr, Joseph H. Montoya, Yang Ha, Junko Yano, Santosh Suram, Linda Hung

Version 1 posted 20 February 2020

737

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Analytical Chemistry

Working Paper

Machine Learning for Acute Toxicity Prediction Using High-Throughput Enzyme-Reaction Chip

Qiannan Duan, Jianchao Lee, Jinhong Gao, Jiayuan Chen, Yachao Lian, Zoudi Wang, Can Wang, Zhaoyi Xu, Juan Ren, Sifan Bi

Version 2 posted 04 March 2019

1,044

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Catalysis

Working Paper

(DMP)DAB–Pd–MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis

Jingjun Huang, Matthew Isaac, Ryan Watt, Joseph Becica, Emma Dennis, Makhsud I. Saidaminov, William A. Sabbers, David Leitch

Version 1 posted 20 January 2021

1,030

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Materials Science

Working Paper

Autonomous retrosynthesis of nanoscale structures via spectral shape matching

Kiran Vaddi, Huat Thart Chiang, Lilo D Pozzo

Version 1 posted 30 March 2022

274

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Catalysis

Working Paper

Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence

Lucas Foppa, Christopher Sutton, Luca M. Ghiringhelli, Sandip De, Patricia Löser, Stephan Schunk, Ansgar Schaefer, Matthias Scheffler

Version 1 posted 21 October 2021

666

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Organic Chemistry

Working Paper

Merging Directed C−H Activations with High-Throughput Experimentation: Development of Predictable Iridium-Catalyzed C−H Aminations Applicable to Late-Stage Functionalization

Erik Weis, Maria Johansson, Pernilla Korsgren, Belén Martín-Matute, Magnus J Johansson

Version 1 posted 07 December 2021

727

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Materials Science

Working Paper

Multivariate Analysis of Peptide-Driven Nucleation and Growth of Au Nanoparticles

Kacper J. Lachowski, Kiran Vaddi, Nada Y. Naser, François Baneyx, Lilo D. Pozzo

Version 1 posted 18 February 2022

216

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Chemical Engineering and Industrial Chemistry

Working Paper

Unlocking the Potential of High-Throughput Experimentation for Electrochemistry with a Standardized Microscale Reactor

Jonas Rein, James R. Annand, Michael K. Wismer, Jiantao Fu, Juno C. Siu, Artis Klapars, Neil A. Strotman, Dipannita Kalyani, Dan Lehnherr, Song Lin

Version 2 posted 11 March 2021

1,466

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3

Citations

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

632

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1

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Refine Search

34 results in High-Throughput Experimentation in Keywords: High-Throughput Experimentation

PhactorTM – a High Throughput Experimentation Management System

Random Forest Machine Learning Models for Interpretable X-Ray Absorption Near-Edge Structure Spectrum-Property Relationships

Machine Learning for Acute Toxicity Prediction Using High-Throughput Enzyme-Reaction Chip

(DMP)DAB–Pd–MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis

Autonomous retrosynthesis of nanoscale structures via spectral shape matching

Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence

Merging Directed C−H Activations with High-Throughput Experimentation: Development of Predictable Iridium-Catalyzed C−H Aminations Applicable to Late-Stage Functionalization

Multivariate Analysis of Peptide-Driven Nucleation and Growth of Au Nanoparticles

Unlocking the Potential of High-Throughput Experimentation for Electrochemistry with a Standardized Microscale Reactor

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

34 results in Keywords: High-Throughput Experimentation