Machine Learning and Mass Spectrometry for Structural Elucidation of Novel Toxic Chemicals

Project Information

LearningStructurE

Grant agreement ID: 101124488

DOI

10.3030/101124488

EC signature date 14 December 2023

Start date 1 January 2024

End date 31 December 2028

Funded under

• European Research Council (ERC)

Total cost

€ 1 867 187,00

EU contribution

€ 1 867 187,00

Coordinated by

STOCKHOLMS UNIVERSITET
Sweden

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (3)

Molecular networking, conformal predictions and revised fingerprint-based models for discovering endocrine disruptors in mixtures

Author(s): Yvonne Kreutzer, Ida Rahu, Ulf Norinder, Anneli Kruve
Published in: Analytical and Bioanalytical Chemistry, Issue 418, 2026, ISSN 1618-2642
Publisher: Springer Science and Business Media LLC
DOI: 10.1007/S00216-025-06303-2

The Analyst

Author(s): Louise Malm; Anneli Kruve
Published in: The Analyst, 2025, ISSN 0003-2654
Publisher: Royal Society of Chemistry
DOI: 10.1039/D5AN00323G

Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening

Author(s): Henrik Hupatz; Ida Rahu; Wei-Chieh Wang; Pilleriin Peets; Emma H. Palm; Anneli Kruve
Published in: Analytical and Bioanalytical Chemistry, 2024, ISSN 1618-2650
Publisher: Springer Nature
DOI: 10.1007/S00216-024-05471-X