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Computational and Practical Aspects of Drug Repositioning.
Oprea TI, Overington JP. Oprea TI, et al. Assay Drug Dev Technol. 2015 Jul-Aug;13(6):299-306. doi: 10.1089/adt.2015.29011.tiodrrr. Assay Drug Dev Technol. 2015. PMID: 26241209 Free PMC article. Review.
SureChEMBL: a large-scale, chemically annotated patent document database.
Papadatos G, Davies M, Dedman N, Chambers J, Gaulton A, Siddle J, Koks R, Irvine SA, Pettersson J, Goncharoff N, Hersey A, Overington JP. Papadatos G, et al. Nucleic Acids Res. 2016 Jan 4;44(D1):D1220-8. doi: 10.1093/nar/gkv1253. Epub 2015 Nov 17. Nucleic Acids Res. 2016. PMID: 26582922 Free PMC article.
Comprehensive characterization of the Published Kinase Inhibitor Set.
Elkins JM, Fedele V, Szklarz M, Abdul Azeez KR, Salah E, Mikolajczyk J, Romanov S, Sepetov N, Huang XP, Roth BL, Al Haj Zen A, Fourches D, Muratov E, Tropsha A, Morris J, Teicher BA, Kunkel M, Polley E, Lackey KE, Atkinson FL, Overington JP, Bamborough P, Müller S, Price DJ, Willson TM, Drewry DH, Knapp S, Zuercher WJ. Elkins JM, et al. Nat Biotechnol. 2016 Jan;34(1):95-103. doi: 10.1038/nbt.3374. Epub 2015 Oct 26. Nat Biotechnol. 2016. PMID: 26501955
diXa: a data infrastructure for chemical safety assessment.
Hendrickx DM, Aerts HJ, Caiment F, Clark D, Ebbels TM, Evelo CT, Gmuender H, Hebels DG, Herwig R, Hescheler J, Jennen DG, Jetten MJ, Kanterakis S, Keun HC, Matser V, Overington JP, Pilicheva E, Sarkans U, Segura-Lepe MP, Sotiriadou I, Wittenberger T, Wittwehr C, Zanzi A, Kleinjans JC. Hendrickx DM, et al. Bioinformatics. 2015 May 1;31(9):1505-7. doi: 10.1093/bioinformatics/btu827. Epub 2014 Dec 12. Bioinformatics. 2015. PMID: 25505093 Free PMC article.
ADME SARfari: comparative genomics of drug metabolizing systems.
Davies M, Dedman N, Hersey A, Papadatos G, Hall MD, Cucurull-Sanchez L, Jeffrey P, Hasan S, Eddershaw PJ, Overington JP. Davies M, et al. Bioinformatics. 2015 May 15;31(10):1695-7. doi: 10.1093/bioinformatics/btv010. Epub 2015 Jan 8. Bioinformatics. 2015. PMID: 25964657 Free PMC article.
A large-scale crop protection bioassay data set.
Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. Gaulton A, et al. Sci Data. 2015 Jul 7;2:150032. doi: 10.1038/sdata.2015.32. eCollection 2015. Sci Data. 2015. PMID: 26175909 Free PMC article.
The promise and peril of chemical probes.
Arrowsmith CH, Audia JE, Austin C, Baell J, Bennett J, Blagg J, Bountra C, Brennan PE, Brown PJ, Bunnage ME, Buser-Doepner C, Campbell RM, Carter AJ, Cohen P, Copeland RA, Cravatt B, Dahlin JL, Dhanak D, Edwards AM, Frederiksen M, Frye SV, Gray N, Grimshaw CE, Hepworth D, Howe T, Huber KV, Jin J, Knapp S, Kotz JD, Kruger RG, Lowe D, Mader MM, Marsden B, Mueller-Fahrnow A, Müller S, O'Hagan RC, Overington JP, Owen DR, Rosenberg SH, Roth B, Ross R, Schapira M, Schreiber SL, Shoichet B, Sundström M, Superti-Furga G, Taunton J, Toledo-Sherman L, Walpole C, Walters MA, Willson TM, Workman P, Young RN, Zuercher WJ. Arrowsmith CH, et al. Nat Chem Biol. 2015 Aug;11(8):536-41. doi: 10.1038/nchembio.1867. Nat Chem Biol. 2015. PMID: 26196764 Free PMC article.
16 results