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ELIXIR and Toxicology: a community in development.
Martens M, Stierum R, Schymanski EL, Evelo CT, Aalizadeh R, Aladjov H, Arturi K, Audouze K, Babica P, Berka K, Bessems J, Blaha L, Bolton EE, Cases M, Damalas DΕ, Dave K, Dilger M, Exner T, Geerke DP, Grafström R, Gray A, Hancock JM, Hollert H, Jeliazkova N, Jennen D, Jourdan F, Kahlem P, Klanova J, Kleinjans J, Kondic T, Kone B, Lynch I, Maran U, Martinez Cuesta S, Ménager H, Neumann S, Nymark P, Oberacher H, Ramirez N, Remy S, Rocca-Serra P, Salek RM, Sallach B, Sansone SA, Sanz F, Sarimveis H, Sarntivijai S, Schulze T, Slobodnik J, Spjuth O, Tedds J, Thomaidis N, Weber RJM, van Westen GJP, Wheelock CE, Williams AJ, Witters H, Zdrazil B, Županič A, Willighagen EL. Martens M, et al. Among authors: williams aj. F1000Res. 2023 Oct 3;10:ELIXIR-1129. doi: 10.12688/f1000research.74502.2. eCollection 2021. F1000Res. 2023. PMID: 37842337 Free PMC article.
The ChEMBL database as linked open data.
Willighagen EL, Waagmeester A, Spjuth O, Ansell P, Williams AJ, Tkachenko V, Hastings J, Chen B, Wild DJ. Willighagen EL, et al. Among authors: williams aj. J Cheminform. 2013 May 8;5(1):23. doi: 10.1186/1758-2946-5-23. J Cheminform. 2013. PMID: 23657106 Free PMC article.
Open Science for Identifying "Known Unknown" Chemicals.
Schymanski EL, Williams AJ. Schymanski EL, et al. Among authors: williams aj. Environ Sci Technol. 2017 May 16;51(10):5357-5359. doi: 10.1021/acs.est.7b01908. Epub 2017 May 5. Environ Sci Technol. 2017. PMID: 28475325 Free PMC article. No abstract available.
Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challenges.
Schymanski EL , Baker NC , Williams AJ , Singh RR , Trezzi JP , Wilmes P , Kolber PL , Kruger R , Paczia N , Linster CL , Balling R . Schymanski EL , et al. Among authors: williams aj. Environ Sci Process Impacts. 2019 Sep 18;21(9):1426-1445. doi: 10.1039/c9em00068b. Environ Sci Process Impacts. 2019. PMID: 31305828
Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening.
Aalizadeh R, Alygizakis NA, Schymanski EL, Krauss M, Schulze T, Ibáñez M, McEachran AD, Chao A, Williams AJ, Gago-Ferrero P, Covaci A, Moschet C, Young TM, Hollender J, Slobodnik J, Thomaidis NS. Aalizadeh R, et al. Among authors: williams aj. Anal Chem. 2021 Aug 24;93(33):11601-11611. doi: 10.1021/acs.analchem.1c02348. Epub 2021 Aug 12. Anal Chem. 2021. PMID: 34382770
1,096 results