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Theoretical and Computational Chemistry

Working Paper

Predicting Binding from Screening Assays with Transformer Network Embeddings

Paul Morris, Rachel St Clair, Elan Barenholtz, William Edward Hahn

Version 1 posted 24 January 2020

1,098

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Organic Chemistry

Working Paper

Unmasked Primary Amines as C-Nucleophiles for Catalytic C–C Bond-Formation

Alison Ryder, William Cunningham, George Ballantyne, Tom Mules, Anna Kinsella, Jacob Turner-Dore, Catherine Alder, Lee Edwards, Blandine McKay, Matthew Grayson, Alex Cresswell

Version 1 posted 12 February 2020

1,650

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Chemical Education

Working Paper

Online in No Time: Design and Implementation of a Remote Learning First Quarter General Chemistry Laboratory and Second Quarter Organic Chemistry Laboratory

William J. Howitz, Taylor A. Thane, Taylor Frey, Xinran S. Wang, Joe C. Gonzales, Chase A. Tretbar, Daniel D. Seith, Shannon S. Saluga, Simon Lam, Melanie M. Nguyen, Peter Tieu, Renee Link, Kimberly D. Edwards

Version 2 posted 24 July 2020

846

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Theoretical and Computational Chemistry

Working Paper

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

Benjamin Kaufman, Edward Williams, Carl Underkoffler, Ryan Pederson, Narbe Mardirossian, Ian Watson, John Parkhill

Version 1 posted 25 August 2023

3,192

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1

Citations

Materials Science

Working Paper

Heterogeneous Doping via Nanoscale Coating Impacts Mechanics of Li Intrusion in Brittle Solid Electrolytes

Xin Xu, Teng Cui, Geoff McConohy, Harsh Jagad, Yufei Yang, Sunny Wang, Samuel Lee, Celeste Melamed, Edward Barks, Emma Kaeli, Leah Narun, Yi Cui, Zewen Zhang, Hye-Ryoung Lee, Rong Xu, Melody Wang, Ajai Romana, Alexis Geslin, Robert Sinclair, Yi Cui, Yue Qi, Wendy Gu, William Chueh

Version 1 posted 19 June 2024

427

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Energy

Working Paper

A formal Fe(III/V) redox couple in an intercalation electrode

Hari Ramachandran, Edward W. Mu, Eder G. Lomeli, Augustin Braun, Masato Goto, Kuan H. Hsu, Jue Liu, Zhelong Jiang, Kipil Lim, Grace M. Busse, Brian Moritz, Joshua J. Kas, John Vinson, John J. Rehr, Jungjin Park, Iwnetim I. Abate, Yuichi Shimakawa, Edward I. Solomon, Wanli Yang, William E. Gent, Thomas P. Devereaux, William C. Chueh

Version 1 posted 19 June 2024

480

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Materials Science

Working Paper

Effect of H+ Exchange & Surface Impurities on Bulk & Interfacial Electrochemistry of Garnet Solid Electrolytes

Sunny Wang, Edward Barks, Po-Ting Lin, Xin Xu, Celeste Melamed, Geoff McConohy, Slavomir Nemsak, William Chueh

Version 1 posted 13 March 2024

545

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT crystallography.

Harold Grosjean, Anthony Aimon, Storm Hassell-Hart, Warren Thompson, Lizbé Koekemoer, James Bennett, Cameron Anderson, Conor Wild, William Bradshaw, Edward A FitzGerald, Tobias Krojer, Anthony Bradley, Oleg Fedorov, Philip C. Biggin, John Spencer, Frank von Delft

Version 2 posted 09 February 2024

1,053

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Analytical Chemistry

Working Paper

On the challenge of unambiguous identification of fentanyl analogs: exploring measurement diversity using standard reference mass spectral libraries

Arun Moorthy, Edward Erisman, Anthony Kearsley, Yuxue Liang, Edward Sisco, William Wallace

Version 1 posted 10 May 2023

341

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Organic Chemistry

Working Paper

Free-Radical Deoxygenative Amination of Alcohols via Copper Metallaphotoredox Catalysis

William P. Carson II, Artem V. Tsymbal, Robert W. Pipal, Grant A. Edwards, Joseph R. Martinelli, Albert Cabré, David W. C. MacMillan

Version 1 posted 02 February 2024

2,300

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Refine Search

19 results in Edward Williams in Authors: Edward Williams

Predicting Binding from Screening Assays with Transformer Network Embeddings

Unmasked Primary Amines as C-Nucleophiles for Catalytic C–C Bond-Formation

Online in No Time: Design and Implementation of a Remote Learning First Quarter General Chemistry Laboratory and Second Quarter Organic Chemistry Laboratory

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

Heterogeneous Doping via Nanoscale Coating Impacts Mechanics of Li Intrusion in Brittle Solid Electrolytes

A formal Fe(III/V) redox couple in an intercalation electrode

Effect of H+ Exchange & Surface Impurities on Bulk & Interfacial Electrochemistry of Garnet Solid Electrolytes

Efficient large-scale exploration of fragment hit progression by exploiting binding-site purification of actives (B-SPA) through combining multi-step array synthesis and HT crystallography.

On the challenge of unambiguous identification of fentanyl analogs: exploring measurement diversity using standard reference mass spectral libraries

Free-Radical Deoxygenative Amination of Alcohols via Copper Metallaphotoredox Catalysis

19 results in Authors: Edward Williams