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. |
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 |
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 |
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 |