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Page 1
Open PHACTS: semantic interoperability for drug discovery.
Williams AJ, Harland L, Groth P, Pettifer S, Chichester C, Willighagen EL, Evelo CT, Blomberg N, Ecker G, Goble C, Mons B. Williams AJ, et al. Among authors: ecker g. Drug Discov Today. 2012 Nov;17(21-22):1188-98. doi: 10.1016/j.drudis.2012.05.016. Epub 2012 Jun 7. Drug Discov Today. 2012. PMID: 22683805 Free article. Review.
Scientific competency questions as the basis for semantically enriched open pharmacological space development.
Azzaoui K, Jacoby E, Senger S, Rodríguez EC, Loza M, Zdrazil B, Pinto M, Williams AJ, de la Torre V, Mestres J, Pastor M, Taboureau O, Rarey M, Chichester C, Pettifer S, Blomberg N, Harland L, Williams-Jones B, Ecker GF. Azzaoui K, et al. Drug Discov Today. 2013 Sep;18(17-18):843-52. doi: 10.1016/j.drudis.2013.05.008. Epub 2013 May 20. Drug Discov Today. 2013. PMID: 23702085 Free article. Review.
The application of the open pharmacological concepts triple store (open PHACTS) to support drug discovery research.
Ratnam J, Zdrazil B, Digles D, Cuadrado-Rodriguez E, Neefs JM, Tipney H, Siebes R, Waagmeester A, Bradley G, Chau CH, Richter L, Brea J, Evelo CT, Jacoby E, Senger S, Loza MI, Ecker GF, Chichester C. Ratnam J, et al. Among authors: ecker gf. PLoS One. 2014 Dec 18;9(12):e115460. doi: 10.1371/journal.pone.0115460. eCollection 2014. PLoS One. 2014. PMID: 25522365 Free PMC article.
Open PHACTS computational protocols for in silico target validation of cellular phenotypic screens: knowing the knowns.
Digles D, Zdrazil B, Neefs JM, Van Vlijmen H, Herhaus C, Caracoti A, Brea J, Roibás B, Loza MI, Queralt-Rosinach N, Furlong LI, Gaulton A, Bartek L, Senger S, Chichester C, Engkvist O, Evelo CT, Franklin NI, Marren D, Ecker GF, Jacoby E. Digles D, et al. Among authors: ecker gf. Medchemcomm. 2016 Jun 1;7(6):1237-1244. doi: 10.1039/c6md00065g. Epub 2016 May 11. Medchemcomm. 2016. PMID: 27774140 Free PMC article.
Kinetics for Drug Discovery: an industry-driven effort to target drug residence time.
Schuetz DA, de Witte WEA, Wong YC, Knasmueller B, Richter L, Kokh DB, Sadiq SK, Bosma R, Nederpelt I, Heitman LH, Segala E, Amaral M, Guo D, Andres D, Georgi V, Stoddart LA, Hill S, Cooke RM, De Graaf C, Leurs R, Frech M, Wade RC, de Lange ECM, IJzerman AP, Müller-Fahrnow A, Ecker GF. Schuetz DA, et al. Drug Discov Today. 2017 Jun;22(6):896-911. doi: 10.1016/j.drudis.2017.02.002. Epub 2017 Apr 13. Drug Discov Today. 2017. PMID: 28412474 Review.
Annotating Human P-Glycoprotein Bioassay Data.
Zdrazil B, Pinto M, Vasanthanathan P, Williams AJ, Balderud LZ, Engkvist O, Chichester C, Hersey A, Overington JP, Ecker GF. Zdrazil B, et al. Mol Inform. 2012 Aug;31(8):599-609. doi: 10.1002/minf.201200059. Epub 2012 Aug 7. Mol Inform. 2012. PMID: 23293680 Free PMC article.
Adverse outcome pathways: opportunities, limitations and open questions.
Leist M, Ghallab A, Graepel R, Marchan R, Hassan R, Bennekou SH, Limonciel A, Vinken M, Schildknecht S, Waldmann T, Danen E, van Ravenzwaay B, Kamp H, Gardner I, Godoy P, Bois FY, Braeuning A, Reif R, Oesch F, Drasdo D, Höhme S, Schwarz M, Hartung T, Braunbeck T, Beltman J, Vrieling H, Sanz F, Forsby A, Gadaleta D, Fisher C, Kelm J, Fluri D, Ecker G, Zdrazil B, Terron A, Jennings P, van der Burg B, Dooley S, Meijer AH, Willighagen E, Martens M, Evelo C, Mombelli E, Taboureau O, Mantovani A, Hardy B, Koch B, Escher S, van Thriel C, Cadenas C, Kroese D, van de Water B, Hengstler JG. Leist M, et al. Among authors: ecker g. Arch Toxicol. 2017 Nov;91(11):3477-3505. doi: 10.1007/s00204-017-2045-3. Epub 2017 Oct 19. Arch Toxicol. 2017. PMID: 29051992 Review.
Medicinal chemistry in the era of big data.
Richter L, Ecker GF. Richter L, et al. Drug Discov Today Technol. 2015 Jul;14:37-41. doi: 10.1016/j.ddtec.2015.06.001. Epub 2015 Jul 14. Drug Discov Today Technol. 2015. PMID: 26194586 Review.
243 results