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Journal Abstract Search

234 related items for PubMed ID: 33496184

  • 1. Modeling the Bioactivation and Subsequent Reactivity of Drugs.
    Hughes TB, Flynn N, Dang NL, Swamidass SJ.
    Chem Res Toxicol; 2021 Feb 15; 34(2):584-600. PubMed ID: 33496184
    [Abstract] [Full Text] [Related]

  • 2. Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes.
    Dang NL, Hughes TB, Miller GP, Swamidass SJ.
    Chem Res Toxicol; 2017 Apr 17; 30(4):1046-1059. PubMed ID: 28256829
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  • 3. Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism.
    Hughes TB, Swamidass SJ.
    Chem Res Toxicol; 2017 Feb 20; 30(2):642-656. PubMed ID: 28099803
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  • 4. Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network.
    Hughes TB, Dang NL, Miller GP, Swamidass SJ.
    ACS Cent Sci; 2016 Aug 24; 2(8):529-37. PubMed ID: 27610414
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  • 5. Computationally Assessing the Bioactivation of Drugs by N-Dealkylation.
    Dang NL, Hughes TB, Miller GP, Swamidass SJ.
    Chem Res Toxicol; 2018 Feb 19; 31(2):68-80. PubMed ID: 29355304
    [Abstract] [Full Text] [Related]

  • 6. Bioactivation of Isoxazole-Containing Bromodomain and Extra-Terminal Domain (BET) Inhibitors.
    Flynn NR, Ward MD, Schleiff MA, Laurin CMC, Farmer R, Conway SJ, Boysen G, Swamidass SJ, Miller GP.
    Metabolites; 2021 Jun 15; 11(6):. PubMed ID: 34203690
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  • 8. 1-(Benzo[b]thiophen-4-yl)piperazine Ring Induced Bioactivation of Brexpiprazole in Liver Microsomes: Identification and Characterization of Reactive Conjugates Using Ultra-High-Performance Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry.
    Thakkar D, Kate AS.
    Eur J Drug Metab Pharmacokinet; 2020 Jun 15; 45(3):393-403. PubMed ID: 32002811
    [Abstract] [Full Text] [Related]

  • 9. Characterization of glutathione conjugates of duloxetine by mass spectrometry and evaluation of in silico approaches to rationalize the site of conjugation for thiophene containing drugs.
    Wu G, Vashishtha SC, Erve JC.
    Chem Res Toxicol; 2010 Aug 16; 23(8):1393-404. PubMed ID: 20669986
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  • 10. Significance of Multiple Bioactivation Pathways for Meclofenamate as Revealed through Modeling and Reaction Kinetics.
    Schleiff MA, Flynn NR, Payakachat S, Schleiff BM, Pinson AO, Province DW, Swamidass SJ, Boysen G, Miller GP.
    Drug Metab Dispos; 2021 Feb 16; 49(2):133-141. PubMed ID: 33239334
    [Abstract] [Full Text] [Related]

  • 11. Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network.
    Hughes TB, Miller GP, Swamidass SJ.
    ACS Cent Sci; 2015 Jul 22; 1(4):168-80. PubMed ID: 27162970
    [Abstract] [Full Text] [Related]

  • 12. Bioactivation of glafenine by human liver microsomes and peroxidases: identification of electrophilic iminoquinone species and GSH conjugates.
    Wen B, Moore DJ.
    Drug Metab Dispos; 2011 Sep 22; 39(9):1511-21. PubMed ID: 21628497
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  • 19. Cytochrome P450-mediated bioactivation of mefenamic acid to quinoneimine intermediates and inactivation by human glutathione S-transferases.
    Venkataraman H, den Braver MW, Vermeulen NP, Commandeur JN.
    Chem Res Toxicol; 2014 Dec 15; 27(12):2071-81. PubMed ID: 25372302
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  • 20. The reactivity of o-quinones which do not isomerize to quinone methides correlates with alkylcatechol-induced toxicity in human melanoma cells.
    Bolton JL, Pisha E, Shen L, Krol ES, Iverson SL, Huang Z, van Breemen RB, Pezzuto JM.
    Chem Biol Interact; 1997 Sep 12; 106(2):133-48. PubMed ID: 9366899
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