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New insights from old data - Hunting for compounds with novel mechanisms using cellular high-throughput screening profiles with Grey Chemical Matter

Jason R Thomas, Claude Shelton IV, Jason Murphy, Scott Brittain, Mark-Anthony Bray, Peter Aspesi, John Concannon, Frederick J King, Robert J Ihry, Daniel J Ho, Martin Henault, Andrea Hadjikyriacou, Marilisa Neri, Frederic D Sigoillot, Helen T Pham, Matthew Shum, Louise Barys, Michael D Jones, Eric J Martin, Anke Blechschmidt, Sébastien Rieffel, Thomas J Troxler, Felipa A Mapa, Jeremy L Jenkins, Rishi K Jain, Peter S Kutchukian, Markus Schirle, Steffen Renner

Version 2 posted 20 October 2023

328

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Biological and Medicinal Chemistry

Working Paper

Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders

Thomas Scott, Christian Alan Paul Smethurst, Yvonne Westermaier, Moriz Mayer, Peter Greb, Roland Kousek, Tobias Biberger, Gerd Bader, Zuzana Jandova, Philipp S. Schmalhorst, Julian E. Fuchs, Aniket Magarkar, Christoph Hoenke, Thomas Gerstberger, Steven A. Combs, Richard Pape, Saksham Phul, Sandeepkumar Kothiwale, Andreas Bergner, Alex G. Waterson, Foldit Players, Harald Weinstabl, Darryl B. McConnell, Jark Böttcher, Jens Meiler, Rocco Moretti

Version 1 posted 11 May 2023

889

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Analytical Chemistry

Working Paper

Confounding contaminants in mass spectrometric reaction monitoring

Gilian T. Thomas, Landon MacGillivray, Natalie L. Dean, Rhonda L. Stoddard, Lars Yunker, J Scott McIndoe

Version 2 posted 27 February 2019

809

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Biological and Medicinal Chemistry

Working Paper

Pharmacology and Therapeutic Potential of Benzothiazole Analogues for Cocaine Use Disorder

Comfort A. Boateng, Ashley N. Nilson, Rebekah Placide, Mimi L. Pham, Franziska M. Jakobs, Noelia Boldizsar, Scot McIntosh, Leia S. Stallings, Ivana V. Korankyi, Shreya Kelshikar, Nisha Shah, Diandra Panasis, Abigail Muccilli, Maria Ladik, Brianna Maslonka, Connor McBride, Moises Ximello Sanchez, Ebrar Akca, Mohammad Alkhatib, Julianna Saez, Catherine Nguyen, Emily Kurtyan, Jacquelyn DePierro, Raymond Crowthers, Dylan Brunt, Alessandro Bonifazi, Amy H. Newman, Rana Rais, Barbara S. Slusher, R. Benjamin Free, David R. Sibley, Kent D. Stewart, Chun Wu, Scott E. Hemby, Thomas M. Keck

Version 2 posted 21 April 2023

407

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Chemical Engineering and Industrial Chemistry

Working Paper

A conjugated heat and mass transfer model to implement reaction in particle-resolved CFD simulations of catalytic fixed bed reactors

Martin Kutscherauer, Scott Anderson, Sebastian Böcklein, Gerhard Mestl, Thomas Turek, Gregor D. Wehinger

Version 2 posted 06 October 2023

254

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Inorganic Chemistry

Working Paper

How soft is your ESI-MS anyway?

Ian C. Chagunda, Peter J. H. Williams, Tiago Fisher, Naomi L. Stock, Daniel G. Beach, Gilian T. Thomas, Jane Zhu, J. Scott McIndoe

Version 1 posted 30 January 2024

145

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Earth, Space, and Environmental Chemistry

Working Paper

Chronological Molecular Fingerprint of Wetland Soil by Sensitivity-Enhanced Solid-State NMR

Wancheng Zhao, Elizabeth C Thomas, Debkumar Debnath, Faith Scott, Frederic Mentink-Vigier, John R. White, Robert L. Cook, Tuo Wang

Version 1 posted 06 November 2023

129

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Physical Chemistry

Working Paper

Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention

Cailum Stienstra, Liam Hebert, Patrick Thomas, Alexander Haack, Jason Guo, Scott Hopkins

Version 2 posted 18 January 2024

478

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Analytical Chemistry

Working Paper

A mechanistic investigation of the Pd-catalyzed cross-coupling between N-tosylhydrazones and aryl halides

Gilian Thomas, Kiera Ronda, Scott McIndoe

Version 1 posted 09 August 2021

321

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Organic Chemistry

Working Paper

Enantioselective Sulfonimidamide Acylation via a Cinchona Alkaloid-Catalyzed Desymmetrization: Scope, Data Science, and Mechanistic Investigation

Brittany Haas, Ngiap-Kie Lim, Janis Jermaks, Eden Gaster, Melody Guo, Thomas Malig, Jacob Werth, Haiming Zhang, F. Dean Toste, Francis Gosselin, Scott Miller, Matthew Sigman

Version 1 posted 09 January 2024

975

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Refine Search

17 results in Thomas Scott in Authors: Thomas Scott

New insights from old data - Hunting for compounds with novel mechanisms using cellular high-throughput screening profiles with Grey Chemical Matter

Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders

Confounding contaminants in mass spectrometric reaction monitoring

Pharmacology and Therapeutic Potential of Benzothiazole Analogues for Cocaine Use Disorder

A conjugated heat and mass transfer model to implement reaction in particle-resolved CFD simulations of catalytic fixed bed reactors

How soft is your ESI-MS anyway?

Chronological Molecular Fingerprint of Wetland Soil by Sensitivity-Enhanced Solid-State NMR

Graphormer-IR: Graph Transformers Predict Experimental IR Spectra Using Highly Specialized Attention

A mechanistic investigation of the Pd-catalyzed cross-coupling between N-tosylhydrazones and aryl halides

Enantioselective Sulfonimidamide Acylation via a Cinchona Alkaloid-Catalyzed Desymmetrization: Scope, Data Science, and Mechanistic Investigation

17 results in Authors: Thomas Scott