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Analytical Chemistry

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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Ian A. Lewis

4 results in Authors: Ian A. Lewis

Analytical Chemistry

Method for Absolute Quantification of Short Chain Fatty Acids via Reverse Phase Chromatography Mass Spectrometry

Dominique Bihan, - Thomas Rydzak, Madeleine Wyss, Keir Pittman, Kathy D. McCoy, Ian A. Lewis

Version 1 posted 11 October 2019

2,357

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1

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Theoretical and Computational Chemistry

Probabilistic Random Forest Improves Bioactivity Predictions Close to the Classification Threshold by Taking into Account Experimental Uncertainty

Lewis Mervin, Maria-Anna Trapotsi, Avid M. Afzal, Ian Barrett, Andreas Bender, Ola Engkvist

Version 1 posted 07 May 2021

368

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Biological and Medicinal Chemistry

Multitask Bioactivity Predictions Using Structural Chemical and Cell Morphology Information

Maria-Anna Trapotsi, Ian Barrett, Lewis Mervin, Avid M. Afzal, Noé Sturm, Ola Engkvist, Andreas Bender

Version 1 posted 29 June 2020

620

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Biological and Medicinal Chemistry

Discovery of a novel class of D-amino acid oxidase (DAO) inhibitors with the Schrödinger computational platform

Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona McRobb, Sathesh Bhat, Mats Svensson, Art Bochevarov, Markus Dahlgren, Jeff Bell, Tyler Day, Leah Frye, Robert Skene, James Lewis, James Osborne, Jason Tierney, James Gordon, Maria Palomero-Vazquez, Caroline Gallati, Robert Chapman, Daniel Jones, Kim Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa Dechaux, Andrea Taylor, Ross Waddell, Andrea Valentine, Holden Janssens, Omar Aziz, Dawn Bloomfield, Sandeep Ladha, Ian Fraser, John Ellard

Version 1 posted 20 October 2021

964

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