Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

106 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
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: willighagen e. J Cheminform. 2022 Aug 24;14(1):57. doi: 10.1186/s13321-022-00614-7. J Cheminform. 2022. PMID: 36002868 Free PMC article.
Artificial intelligence for natural product drug discovery.
Mullowney MW, Duncan KR, Elsayed SS, Garg N, van der Hooft JJJ, Martin NI, Meijer D, Terlouw BR, Biermann F, Blin K, Durairaj J, Gorostiola González M, Helfrich EJN, Huber F, Leopold-Messer S, Rajan K, de Rond T, van Santen JA, Sorokina M, Balunas MJ, Beniddir MA, van Bergeijk DA, Carroll LM, Clark CM, Clevert DA, Dejong CA, Du C, Ferrinho S, Grisoni F, Hofstetter A, Jespers W, Kalinina OV, Kautsar SA, Kim H, Leao TF, Masschelein J, Rees ER, Reher R, Reker D, Schwaller P, Segler M, Skinnider MA, Walker AS, Willighagen EL, Zdrazil B, Ziemert N, Goss RJM, Guyomard P, Volkamer A, Gerwick WH, Kim HU, Müller R, van Wezel GP, van Westen GJP, Hirsch AKH, Linington RG, Robinson SL, Medema MH. Mullowney MW, et al. Among authors: willighagen el. Nat Rev Drug Discov. 2023 Nov;22(11):895-916. doi: 10.1038/s41573-023-00774-7. Epub 2023 Sep 11. Nat Rev Drug Discov. 2023. PMID: 37697042 Review.
Guiding the choice of informatics software and tools for lipidomics research applications.
Ni Z, Wölk M, Jukes G, Mendivelso Espinosa K, Ahrends R, Aimo L, Alvarez-Jarreta J, Andrews S, Andrews R, Bridge A, Clair GC, Conroy MJ, Fahy E, Gaud C, Goracci L, Hartler J, Hoffmann N, Kopczyinki D, Korf A, Lopez-Clavijo AF, Malik A, Ackerman JM, Molenaar MR, O'Donovan C, Pluskal T, Shevchenko A, Slenter D, Siuzdak G, Kutmon M, Tsugawa H, Willighagen EL, Xia J, O'Donnell VB, Fedorova M. Ni Z, et al. Among authors: willighagen el. Nat Methods. 2023 Feb;20(2):193-204. doi: 10.1038/s41592-022-01710-0. Epub 2022 Dec 21. Nat Methods. 2023. PMID: 36543939 Free PMC article. Review.
The FAIR Cookbook - the essential resource for and by FAIR doers.
Rocca-Serra P, Gu W, Ioannidis V, Abbassi-Daloii T, Capella-Gutierrez S, Chandramouliswaran I, Splendiani A, Burdett T, Giessmann RT, Henderson D, Batista D, Emam I, Gadiya Y, Giovanni L, Willighagen E, Evelo C, Gray AJG, Gribbon P, Juty N, Welter D, Quast K, Peeters P, Plasterer T, Wood C, van der Horst E, Reilly D, van Vlijmen H, Scollen S, Lister A, Thurston M, Granell R; FAIR Cookbook Contributors; Sansone SA. Rocca-Serra P, et al. Among authors: willighagen e. Sci Data. 2023 May 19;10(1):292. doi: 10.1038/s41597-023-02166-3. Sci Data. 2023. PMID: 37208467 Free PMC article.
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
O'Boyle NM, Guha R, Willighagen EL, Adams SE, Alvarsson J, Bradley JC, Filippov IV, Hanson RM, Hanwell MD, Hutchison GR, James CA, Jeliazkova N, Lang AS, Langner KM, Lonie DC, Lowe DM, Pansanel J, Pavlov D, Spjuth O, Steinbeck C, Tenderholt AL, Theisen KJ, Murray-Rust P. O'Boyle NM, et al. Among authors: willighagen el. J Cheminform. 2011 Oct 14;3(1):37. doi: 10.1186/1758-2946-3-37. J Cheminform. 2011. PMID: 21999342 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. J Cheminform. 2013 May 8;5(1):23. doi: 10.1186/1758-2946-5-23. J Cheminform. 2013. PMID: 23657106 Free PMC article.
XMetDB: an open access database for xenobiotic metabolism.
Spjuth O, Rydberg P, Willighagen EL, Evelo CT, Jeliazkova N. Spjuth O, et al. J Cheminform. 2016 Sep 15;8:47. doi: 10.1186/s13321-016-0161-3. eCollection 2016. J Cheminform. 2016. PMID: 27651835 Free PMC article.
106 results