Global Challenges: Opening up Chemistry, Pandemics, and Air Pollution

por Schymanski, Emma L.
Publicado 2022

CASMI: And the Winner is ..

por Schymanski, Emma L., Neumann, Steffen
Publicado 2013

Small Molecule Identification with MOLGEN and Mass Spectrometry

por Meringer, Markus, Schymanski, Emma L.
Publicado 2013

The Critical Assessment of Small Molecule Identification (CASMI): Challenges Solutions

por Schymanski, Emma L., Neumann, Steffen
Publicado 2013

FAIR chemical structures in the Journal of Cheminformatics

por Schymanski, Emma L., Bolton, Evan E.
Publicado 2021

Paths to Cheminformatics: Q&A with Norberto Sánchez-Cruz and Emma Schymanski

por Sánchez-Cruz, Norberto, Schymanski, Emma L.
Publicado 2022

An algorithm to classify homologous series within compound datasets

por Lai, Adelene, Schaub, Jonas, Steinbeck, Christoph, Schymanski, Emma L.
Publicado 2022

High-throughput Saccharomyces cerevisiae cultivation method for credentialing-based untargeted metabolomics

por Favilli, Lorenzo, Griffith, Corey M., Schymanski, Emma L., Linster, Carole L.
Publicado 2023

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

por Ruttkies, Christoph, Schymanski, Emma L., Wolf, Sebastian, Hollender, Juliane, Neumann, Steffen
Publicado 2016

Development and Application of an LC-MS/MS Untargeted Exposomics Method with a Separated Pooled Quality Control Strategy

por Frigerio, Gianfranco, Moruzzi, Camilla, Mercadante, Rosa, Schymanski, Emma L., Fustinoni, Silvia
Publicado 2022

Occurrence and Distribution of Pharmaceuticals and Their Transformation Products in Luxembourgish Surface Waters

por Singh, Randolph R., Lai, Adelene, Krier, Jessy, Kondić, Todor, Diderich, Philippe, Schymanski, Emma L.
Publicado 2021

Avoiding the Next Silent Spring: Our Chemical Past, Present, and Future

por Arp, Hans Peter H., Aurich, Dagny, Schymanski, Emma L., Sims, Kerry, Hale, Sarah E.
Publicado 2023

Annotating Nontargeted LC-HRMS/MS Data with Two Complementary Tandem Mass Spectral Libraries

por Oberacher, Herbert, Reinstadler, Vera, Kreidl, Marco, Stravs, Michael A., Hollender, Juliane, Schymanski, Emma L.
Publicado 2018

Per- and Polyfluoroalkyl Substances (PFAS) in PubChem: 7 Million and Growing

por Schymanski, Emma L., Zhang, Jian, Thiessen, Paul A., Chirsir, Parviel, Kondic, Todor, Bolton, Evan E.
Publicado 2023

Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag

por Schymanski, Emma L., Kondić, Todor, Neumann, Steffen, Thiessen, Paul A., Zhang, Jian, Bolton, Evan E.
Publicado 2021

“MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies

por McEachran, Andrew D., Mansouri, Kamel, Grulke, Chris, Schymanski, Emma L., Ruttkies, Christoph, Williams, Antony J.
Publicado 2018

Mind the Gap: Mapping Mass Spectral Databases in Genome-Scale Metabolic Networks Reveals Poorly Covered Areas

por Frainay, Clément, Schymanski, Emma L., Neumann, Steffen, Merlet, Benjamin, Salek, Reza M., Jourdan, Fabien, Yanes, Oscar
Publicado 2018

Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag

por Ruttkies, Christoph, Schymanski, Emma L., Strehmel, Nadine, Hollender, Juliane, Neumann, Steffen, Williams, Antony J., Krauss, Martin
Publicado 2019

patRoon: open source software platform for environmental mass spectrometry based non-target screening

por Helmus, Rick, ter Laak, Thomas L., van Wezel, Annemarie P., de Voogt, Pim, Schymanski, Emma L.
Publicado 2021

Nontarget Screening Reveals Time Trends of Polar Micropollutants in a Riverbank Filtration System

por Albergamo, Vittorio, Schollée, Jennifer E., Schymanski, Emma L., Helmus, Rick, Timmer, Harrie, Hollender, Juliane, de Voogt, Pim
Publicado 2019