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7 results in Authors: Scott Denmark

Catalysis

Working Paper

Structural Contributions to Autocatalysis and Asymmetric Amplification in the Soai Reaction

Soumitra Athavale, Adam Simon, Kendall N Houk, Scott Denmark

Version 1 posted 05 March 2020

725

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Theoretical and Computational Chemistry

Working Paper

molli: A General-Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.

Alexander S. Shved, Blake E. Ocampo, Elena S. Burlova, Casey L. Olen, N. Ian Rinehart, Scott E. Denmark

Version 2 posted 12 August 2024

920

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Catalysis

Working Paper

Development and Validation of a Chemoinformatic Workflow for Predicting Reaction Yield for Pd-Catalyzed C-N Couplings with Substrate Generalizability

N. Ian Rinehart, Rakesh K. Saunthwal, Joël Wellauer, Andrew F. Zahrt, Lukas Schlemper, Alexander S. Shved, Raphael Bigler, Serena Fantasia, Scott E. Denmark

Version 2 posted 13 February 2023

2,221

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Citations

Organometallic Chemistry

Working Paper

Demystifying the Soai Reaction

Soumitra Athavale, Adam Simon, Kendall N. Houk, Scott Denmark

Version 1 posted 23 July 2019

1,265

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Citations

Organic Chemistry

Working Paper

Catalytic, Enantioselective Syn-Diamination of Alkenes

Zhonglin Tao, Brad Gilbert, Scott Denmark

Version 1 posted 26 September 2019

814

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Catalysis

Working Paper

Chemoinformatic Catalyst Selection Methods for the Optimization of Copper-Bis(oxazoline) Mediated, Asymmetric, Vinylogous Mukaiyama Aldol Reactions

Casey Olen, Andrew Zahrt, Sean Reilly, Danielle Schultz, Khateeta Emerson, David Candito, Neil Strotman, Scott Denmark

Version 2 posted 30 May 2023

1,030

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Citations

Organic Chemistry

Working Paper

Computational Methods for Training Set Selection and Error Assessment Applied to Catalyst Design: Guidelines for Deciding Which Reactions to Run First and Which to Run Next

Scott Denmark, Andrew Zahrt, William Darrow, Brennan Rose, Jeremy Henle

Version 1 posted 16 November 2020

488

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7 results in Scott Denmark in Authors: Scott Denmark

Structural Contributions to Autocatalysis and Asymmetric Amplification in the Soai Reaction

molli: A General-Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction.

Development and Validation of a Chemoinformatic Workflow for Predicting Reaction Yield for Pd-Catalyzed C-N Couplings with Substrate Generalizability

Demystifying the Soai Reaction

Catalytic, Enantioselective Syn-Diamination of Alkenes

Chemoinformatic Catalyst Selection Methods for the Optimization of Copper-Bis(oxazoline) Mediated, Asymmetric, Vinylogous Mukaiyama Aldol Reactions

Computational Methods for Training Set Selection and Error Assessment Applied to Catalyst Design: Guidelines for Deciding Which Reactions to Run First and Which to Run Next

7 results in Authors: Scott Denmark