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Jake W. O'Brien

3 results in Authors: Jake W. O'Brien

Analytical Chemistry

Critical assessment of the chemical space covered by LC-HRMS non-targeted analysis

Tobias Hulleman, Viktoriia Turkina, Jake W. O’Brien, Aleksandra Chojnacka, Kevin V. Thomas, Saer Samanipour

Version 2 posted 16 August 2023

408

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Analytical Chemistry

Molecular Fingerprints Optimization for Enhanced Predictive Modeling

Viktoriia Turkina, Melanie R.W. Messih, Etienne Kant, Jelle Gringhuis, Annemieke Petrignani, Garry Corthals, Jake W. O'Brien, Saer Samanipour

Version 1 posted 26 February 2024

558

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Analytical Chemistry

Prioritization of unknown features based on predicted toxicity categories

Viktoriia Turkina, Jelle T. Gringhuis, Sanne Boot, Annemieke Petrignani, Garry Corthals, Antonia Praetorius, Jake W. O'Brien, Saer Samanipour

Version 1 posted 21 November 2024

143

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