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Theoretical and Computational Chemistry

Working Paper

Evolving and Nano Data Enabled Machine Intelligence for Chemical Reaction Optimization

Daniel Reker, Gonçalo Bernardes, Tiago Rodrigues

Version 1 posted 02 November 2018

1,801

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1

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Materials Science

Working Paper

Water Dispersible Sulfo-Polyester Resins with Controlled Nano-Sized Particles

Guerino Sacripante, Daniel Foucher

Version 1 posted 08 January 2021

848

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Organic Chemistry

Working Paper

DoE Optimization Empowers the Automated Preparation of Enantiomerically Pure [18F]Talazoparib and its In Vivo Evaluation as a PARP Radiotracer.

Gregory D. Bowden, Sophie Stotz, Johannes Kinzler, Christian Geibel, Michael Laemmerhofer, Bernd J. Pichler, Andreas Maurer

Version 1 posted 13 May 2021

587

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1

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Analytical Chemistry

Working Paper

A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample Preparation Optimization

Brianna M. Garcia, Goncalo J. Gouveia, Amanda O. Shaver, Ricardo M. Borges, I. Jonathan Amster, Arthur S. Edison, Franklin E. Leach III

Version 1 posted 07 November 2022

249

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Theoretical and Computational Chemistry

Working Paper

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

Yifan Wang, Tai-Ying Chen, Dionisios Vlachos

Version 1 posted 04 June 2021

1,256

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Materials Science

Working Paper

A response surface model to predict and experimentally tune the chemical, magnetic and optoelectronic properties of oxygen-doped boron nitride

Ravi Shankar, Elan Mistry, Daphne Lubert-Perquel, Irena Nevjestic, Sandrine Heutz, Camille Petit

Version 1 posted 26 October 2021

157

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Materials Science

Working Paper

Optimization of the Bulk Heterojunction of All-smallmolecule Organic Photovoltaics Using Design of Experiment and Machine Learning Approaches

Aaron Kirkey, Erik Luber, Bing Cao, Brian Olsen, Jillian Buriak

Version 1 posted 19 August 2020

643

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Nanoscience

Working Paper

A quality by design approach for the synthesis of palmitoyl carnitine loaded nanoemulsions as drug delivery systems

Eva María Arroyo Urea, María Muñoz Hernando, Marta Leo Barriga, Fernando Herranz, Ana Gonzalez Paredes

Version 1 posted 06 July 2022

215

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Theoretical and Computational Chemistry

Working Paper

Cost-Informed Bayesian Reaction Optimization

Alexandre Schoepfer, Jan Weinreich, Ruben Laplaza, Jerome Waser, Clemence Corminboeuf

Version 1 posted 22 April 2024

172

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Refine Search

9 results in Design of Experiments in Keywords: Design of Experiments

Evolving and Nano Data Enabled Machine Intelligence for Chemical Reaction Optimization

Water Dispersible Sulfo-Polyester Resins with Controlled Nano-Sized Particles

DoE Optimization Empowers the Automated Preparation of Enantiomerically Pure [18F]Talazoparib and its In Vivo Evaluation as a PARP Radiotracer.

A Taguchi Design of Experiments Approach for Untargeted Metabolomics Sample Preparation Optimization

NEXTorch: A Design and Bayesian Optimization Toolkit for Chemical Sciences and Engineering

A response surface model to predict and experimentally tune the chemical, magnetic and optoelectronic properties of oxygen-doped boron nitride

Optimization of the Bulk Heterojunction of All-smallmolecule Organic Photovoltaics Using Design of Experiment and Machine Learning Approaches

A quality by design approach for the synthesis of palmitoyl carnitine loaded nanoemulsions as drug delivery systems

Cost-Informed Bayesian Reaction Optimization

9 results in Keywords: Design of Experiments