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Organic Chemistry

Working Paper

Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines

Brittany Haas, Melissa Hardy, Shree Sowndarya S. V., Keir Adams, Connor Coley, Robert Paton, Matthew Sigman

Version 1 posted 23 February 2024

1,618

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Organic Chemistry

Working Paper

14N to 15N Isotopic Exchange of Nitrogen Heteroaromatics through Skeletal Editing

G. Logan Bartholomew, Samantha L. Kraus, Lucas J. Karas, Filippo Carpaneto, Raffeal Bennett, Matthew S. Sigman, Charles S. Yeung, Richmond Sarpong

Version 1 posted 05 October 2023

2,942

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Biological and Medicinal Chemistry

Working Paper

A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation

Alec Christian, Shang Jia, Patricia Zhang, Arismel Tena Meza, Matthew S. Sigman, Christopher Chang, F. Dean Toste

Version 1 posted 24 May 2019

847

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Catalysis

Working Paper

Structural and Data Science-Driven Analysis to Assess Substrate Specificity of Diketopiperazine Reverse Prenyltransferase NotF: Cascade Biocatalytic Synthesis of (–)-Eurotiumin A

Samantha P. Kelly, Vikram V. Shende, Autumn R. Flynn, Qingyun Dan, Ying Ye, Janet L. Smith, Sachiko Tsukamoto, Matthew S. Sigman, David H. Sherman

Version 1 posted 06 September 2021

851

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Organic Chemistry

Working Paper

An Explosophore-Based Approach Towards the Prediction of Energetic Material Sensitivity Properties

Jonas Rein, Jonathan M. Meinhardt, Julie L. Hofstra Wahlman, Matthew S. Sigman, Song Lin

Version 2 posted 10 August 2021

1,591

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1

Citations

Organic Chemistry

Working Paper

Catalytic Carbonyl-Olefin Metathesis of Aliphatic Ketones: Iron(III) HomoDimers as Lewis Acidic Superelectrophiles

Haley Albright, Paul S. Riehl, Christopher C. McAtee, Jolene P. Reid, Jacob R. Ludwig, Lindsey A. Karp, Paul M. Zimmerman, Matthew S. Sigman, Corinna S. Schindler

Version 1 posted 26 September 2018

1,097

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Theoretical and Computational Chemistry

Working Paper

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Tobias Gensch, Gabriel dos Passos Gomes, Pascal Friederich, Ellyn Peters, Theophile Gaudin, Robert Pollice, Kjell Jorner, AkshatKumar Nigam, Michael Lindner D'Addario, Matthew S. Sigman, Alan Aspuru-Guzik

Version 1 posted 27 April 2021

3,311

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5

Citations

Organic Chemistry

Working Paper

Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling

Cheng-Che Tsai, Christopher Sandford, Tao Wu, Buyun Chen, Matthew S. Sigman, F. Dean Toste

Version 1 posted 11 March 2020

698

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Catalysis

Working Paper

N-Ammonium Ylide Mediators for Selective Electrochemical C–H Oxidation

Masato Saito, Yu Kawamata, Michael Meanwell, Rafael Navratil, Debora Chiodi, Ethan Carlson, Pengfei Hu, Longrui Chen, Sagar Udyavara, Cian Kingston, Mayank Tanwar, Sameer Tyagi, Bruce Mckillican, Moses Gichinga, Michael A. Schmidt, Martin Eastgate, Max Lamberto, Chi He, Tianhua Tang, Christian A. Malapit, Matthew S. Sigman, Shelley D. Minteer, Matthew Neurock, Phil Baran

Version 1 posted 19 February 2021

1,934

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Catalysis

Working Paper

Development and Molecular Understanding of a Pd-catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

Jordan De Jesus Silva, Niccolò Bartalucci, Benson Jelier, Samantha Grosslight, Tobias Gensch, Claas Schünemann, Bernd Müller, Paul C. J. Kamer, Christophe Copéret, Matthew S. Sigman, Antonio Togni

Version 1 posted 20 July 2021

664

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12 results in Matthew S. Sigman in Authors: Matthew S. Sigman

Rapid Prediction of Conformationally-Dependent DFT-Level Descriptors using Graph Neural Networks for Carboxylic Acids and Alkyl Amines

14N to 15N Isotopic Exchange of Nitrogen Heteroaromatics through Skeletal Editing

A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation

Structural and Data Science-Driven Analysis to Assess Substrate Specificity of Diketopiperazine Reverse Prenyltransferase NotF: Cascade Biocatalytic Synthesis of (–)-Eurotiumin A

An Explosophore-Based Approach Towards the Prediction of Energetic Material Sensitivity Properties

Catalytic Carbonyl-Olefin Metathesis of Aliphatic Ketones: Iron(III) HomoDimers as Lewis Acidic Superelectrophiles

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

Enantioselective Intramolecular Allylic Substitution via Synergistic Palladium/Chiral Phosphoric Acid Catalysis: Insight into Stereoinduction through Statistical Modeling

N-Ammonium Ylide Mediators for Selective Electrochemical C–H Oxidation

Development and Molecular Understanding of a Pd-catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

12 results in Authors: Matthew S. Sigman