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eTRANSAFE: data science to empower translational safety assessment.
Sanz F, Pognan F, Steger-Hartmann T, Díaz C, Asakura S, Amberg A, Bécourt-Lhote N, Blomberg N, Bosc N, Briggs K, Bringezu F, Brulle-Wohlhueter C, Brunak S, Bueters R, Callegaro G, Capella-Gutierrez S, Centeno E, Corvi J, Cronin MTD, Drew P, Duchateau-Nguyen G, Ecker GF, Escher S, Felix E, Ferreiro M, Frericks M, Furlong LI, Geiger R, George C, Grandits M, Ivanov-Draganov D, Kilgour-Christie J, Kiziloren T, Kors JA, Koyama N, Kreuchwig A, Leach AR, Mayer MA, Monecke P, Muster W, Nakazawa CM, Nicholson G, Parry R, Pastor M, Piñero J, Oberhauser N, Ramírez-Anguita JM, Rodrigo A, Smajic A, Schaefer M, Schieferdecker S, Soininen I, Terricabras E, Trairatphisan P, Turner SC, Valencia A, van de Water B, van der Lei JL, van Mulligen EM, Vock E, Wilkinson D. Sanz F, et al. Among authors: felix e. Nat Rev Drug Discov. 2023 Aug;22(8):605-606. doi: 10.1038/d41573-023-00099-5. Nat Rev Drug Discov. 2023. PMID: 37316648 No abstract available.
Illuminating the druggable genome through patent bioactivity data.
Magariños MP, Gaulton A, Félix E, Kiziloren T, Arcila R, Oprea TI, Leach AR. Magariños MP, et al. Among authors: felix e. PeerJ. 2023 May 2;11:e15153. doi: 10.7717/peerj.15153. eCollection 2023. PeerJ. 2023. PMID: 37151295 Free PMC article.
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. Zdrazil B, et al. Among authors: felix e. Nucleic Acids Res. 2024 Jan 5;52(D1):D1180-D1192. doi: 10.1093/nar/gkad1004. Nucleic Acids Res. 2024. PMID: 37933841 Free PMC article.
ChEMBL: towards direct deposition of bioassay data.
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. Mendez D, et al. Among authors: felix e. Nucleic Acids Res. 2019 Jan 8;47(D1):D930-D940. doi: 10.1093/nar/gky1075. Nucleic Acids Res. 2019. PMID: 30398643 Free PMC article.
An open source chemical structure curation pipeline using RDKit.
Bento AP, Hersey A, Félix E, Landrum G, Gaulton A, Atkinson F, Bellis LJ, De Veij M, Leach AR. Bento AP, et al. Among authors: felix e. J Cheminform. 2020 Sep 1;12(1):51. doi: 10.1186/s13321-020-00456-1. J Cheminform. 2020. PMID: 33431044 Free PMC article.
MAIP: a web service for predicting blood-stage malaria inhibitors.
Bosc N, Felix E, Arcila R, Mendez D, Saunders MR, Green DVS, Ochoada J, Shelat AA, Martin EJ, Iyer P, Engkvist O, Verras A, Duffy J, Burrows J, Gardner JMF, Leach AR. Bosc N, et al. Among authors: felix e. J Cheminform. 2021 Feb 22;13(1):13. doi: 10.1186/s13321-021-00487-2. J Cheminform. 2021. PMID: 33618772 Free PMC article.
300 results