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LAI Adelene

Main Referenced Co-authors
SCHYMANSKI, Emma  (9)
KONDIC, Todor  (7)
Diderich, Philippe (5)
SINGH, Randolph  (5)
Bolton, Evan E. (3)
Main Referenced Keywords
cheminformatics (3); algorithm (2); environmental chemistry (2); chemical pollutants (1); Chemical structure (1);
Main Referenced Unit & Research Centers
Luxembourg Centre for Systems Biomedicine (LCSB): Environmental Cheminformatics (Schymanski Group) (2)
Main Referenced Disciplines
Environmental sciences & ecology (5)
Chemistry (5)
Life sciences: Multidisciplinary, general & others (1)
Earth sciences & physical geography (1)

Publications (total 10)

The most downloaded
232 downloads
LAI, A. (2022). Cheminformatics and Computational Approaches for Identifying and Managing Unknown Chemicals in the Environment [Doctoral thesis, Unilu - University of Luxembourg]. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/53460 https://hdl.handle.net/10993/53460

The most cited

55 citations (OpenAlex)

LAI, A., Clark, A., Escher, B., Fernandez, M., McEwen, L., Tian, Z., Wang, Z., & SCHYMANSKI, E. (2022). The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs). Environmental Science and Technology. doi:10.1021/acs.est.2c00321 https://hdl.handle.net/10993/51225

LAI, A. (2022). Cheminformatics and Computational Approaches for Identifying and Managing Unknown Chemicals in the Environment [Doctoral thesis, Unilu - University of Luxembourg]. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/53460

LAI, A., Schaub, J., Steinbeck, C., & SCHYMANSKI, E. (13 December 2022). An algorithm to classify homologous series within compound datasets. Journal of Cheminformatics, 14 (85). doi:10.1186/s13321-022-00663-y
Peer Reviewed verified by ORBi

LAI, A., Clark, A., Escher, B., Fernandez, M., McEwen, L., Tian, Z., Wang, Z., & SCHYMANSKI, E. (2022). The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs). Environmental Science and Technology. doi:10.1021/acs.est.2c00321
Peer Reviewed verified by ORBi

Krier, J., Singh, R. R., KONDIC, T., LAI, A., Diderich, P., Zhang, J., Thiessen, P. A., Bolton, E. E., & SCHYMANSKI, E. (2022). Discovering pesticides and their TPs in Luxembourg waters using open cheminformatics approaches. Environment International, 158, 106885. doi:10.1016/j.envint.2021.106885
Peer Reviewed verified by ORBi

Krier, J., Singh, R. R., KONDIC, T., LAI, A., Diderich, P., Zhang, J. J., Thiessen, P. A., Bolton, E. E., & SCHYMANSKI, E. (24 June 2021). Discovering Pesticides, Pharmaceuticals TPs in Luxembourg Waters using Open Cheminformatics Approaches [Paper presentation]. Keynote Presentation for Metabolomics2021 (virtual), the 17th Annual Conference of the Metabolomics Society. Presenter: Emma Schymanski.

SINGH, R., LAI, A., KRIER, J., KONDIC, T., Diderich, P., & SCHYMANSKI, E. (2021). Occurrence and Distribution of Pharmaceuticals and their Transformation Products in Luxembourgish Surface Waters. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/48326. doi:10.26434/chemrxiv.14564301.v1

LAI, A., SINGH, R., Kovalova, L., Jaeggi, O., KONDIC, T., & SCHYMANSKI, E. (2021). Retrospective non-target analysis to support regulatory water monitoring: from masses of interest to recommendations via in silico workflows. Environmental Sciences Europe, 33 (1), 43. doi:10.1186/s12302-021-00475-1
Peer reviewed

SINGH, R., LAI, A., KRIER, J., KONDIC, T., Diderich, P., & SCHYMANSKI, E. (2021). Occurrence and Distribution of Pharmaceuticals and Their Transformation Products in Luxembourgish Surface Waters. ACS Environmental Au, 1c00008. doi:10.1021/acsenvironau.1c00008
Peer Reviewed verified by ORBi

KRIER, J., SINGH, R., KONDIC, T., LAI, A., Diderich, P., Zhang, J., Thiessen, P. A., Bolton, E. E., & SCHYMANSKI, E. (2021). Discovering Pesticides and their Transformation Products in Luxembourg Waters using Open Cheminformatics Approaches. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/48327. doi:10.21203/rs.3.rs-478324/v1

LAI, A., SINGH, R., Kovalova, L., Jaeggi, O., KONDIC, T., & SCHYMANSKI, E. (2020). Retrospective Non-target Analysis to Support Regulatory Water Monitoring: From Masses of Interest to Recommendations via in silico workflows. Environmental Sciences Europe. doi:10.1186/S12302-021-00475-1

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