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Informatics

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3 results in Keywords: Informatics

Theoretical and Computational Chemistry

Graph Theory Approach to High-Throughput Surface Adsorption Structure Generation

Jacob Boes, Osman Mamun, Kirstin Winther, Thomas Bligaard

Version 1 posted 08 November 2018

909

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Analytical Chemistry

Vendor-dependent mobile phase contaminants affect neutral lipid analysis in lipidomics protocols

Joshua Roberts, Angela Radnoff, Aleksandra Bushueva, Jocelyn Menard, Karl Wasslen, Meaghan Harley, Jeffrey Manthorpe, Jeffrey Smith

Version 1 posted 04 March 2024

249

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Organic Chemistry

Matcher: An Open-Source Application for Translating Large Structure/Property Datasets into Insights for Drug Design

Andrew Hoover, Martin Spale, Brian Lahue, Danny Bitton

Version 1 posted 27 October 2022

887

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