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European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials.
van Rijn J, Afantitis A, Culha M, Dusinska M, Exner TE, Jeliazkova N, Longhin EM, Lynch I, Melagraki G, Nymark P, Papadiamantis AG, Winkler DA, Yilmaz H, Willighagen E. van Rijn J, et al. Among authors: exner te. J Cheminform. 2022 Aug 24;14(1):57. doi: 10.1186/s13321-022-00614-7. J Cheminform. 2022. PMID: 36002868 Free PMC article.
Can an InChI for Nano Address the Need for a Simplified Representation of Complex Nanomaterials across Experimental and Nanoinformatics Studies?
Lynch I, Afantitis A, Exner T, Himly M, Lobaskin V, Doganis P, Maier D, Sanabria N, Papadiamantis AG, Rybinska-Fryca A, Gromelski M, Puzyn T, Willighagen E, Johnston BD, Gulumian M, Matzke M, Green Etxabe A, Bossa N, Serra A, Liampa I, Harper S, Tämm K, Jensen AC, Kohonen P, Slater L, Tsoumanis A, Greco D, Winkler DA, Sarimveis H, Melagraki G. Lynch I, et al. Nanomaterials (Basel). 2020 Dec 11;10(12):2493. doi: 10.3390/nano10122493. Nanomaterials (Basel). 2020. PMID: 33322568 Free PMC article.
Metadata Stewardship in Nanosafety Research: Community-Driven Organisation of Metadata Schemas to Support FAIR Nanoscience Data.
Papadiamantis AG, Klaessig FC, Exner TE, Hofer S, Hofstaetter N, Himly M, Williams MA, Doganis P, Hoover MD, Afantitis A, Melagraki G, Nolan TS, Rumble J, Maier D, Lynch I. Papadiamantis AG, et al. Among authors: exner te. Nanomaterials (Basel). 2020 Oct 15;10(10):2033. doi: 10.3390/nano10102033. Nanomaterials (Basel). 2020. PMID: 33076428 Free PMC article.
11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Ache… See abstract for full author list ➔ Fechner U, et al. Among authors: exner te. J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5. J Cheminform. 2016. PMID: 29270804 Free PMC article. No abstract available.
Towards a qAOP framework for predictive toxicology - Linking data to decisions.
Paini A, Campia I, Cronin MTD, Asturiol D, Ceriani L, Exner TE, Gao W, Gomes C, Kruisselbrink J, Martens M, Meek MEB, Pamies D, Pletz J, Scholz S, Schüttler A, Spînu N, Villeneuve DL, Wittwehr C, Worth A, Luijten M. Paini A, et al. Among authors: exner te. Comput Toxicol. 2022 Feb;21:100195. doi: 10.1016/j.comtox.2021.100195. Comput Toxicol. 2022. PMID: 35211660 Free PMC article.
Integrated analysis of in vitro data and the adverse outcome pathway framework for prioritization and regulatory applications: An exploratory case study using publicly available data on piperonyl butoxide and liver models.
Oki NO, Farcal L, Abdelaziz A, Florean O, Doktorova TY, Exner T, Kohonen P, Grafström R, Hardy B. Oki NO, et al. Toxicol In Vitro. 2019 Feb;54:23-32. doi: 10.1016/j.tiv.2018.09.002. Epub 2018 Sep 7. Toxicol In Vitro. 2019. PMID: 30196099 Free article.
Scaffold Effects on Halogen Bonding Strength.
Lange A, Heidrich J, Zimmermann MO, Exner TE, Boeckler FM. Lange A, et al. Among authors: exner te. J Chem Inf Model. 2019 Feb 25;59(2):885-894. doi: 10.1021/acs.jcim.8b00621. Epub 2019 Jan 28. J Chem Inf Model. 2019. PMID: 30629432
77 results