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Pubmed for Handhelds

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Journal Abstract Search

190 related items for PubMed ID: 39312176

  • 21. Galaxy for open-source computational drug discovery solutions.
    Singh Gaur A, Nagamani S, Priyadarsinee L, Mahanta HJ, Parthasarathi R, Sastry GN.
    Expert Opin Drug Discov; 2023 Jun; 18(6):579-590. PubMed ID: 37089036
    [Abstract] [Full Text] [Related]

  • 22. Comparative Analyses of Medicinal Chemistry and Cheminformatics Filters with Accessible Implementation in Konstanz Information Miner (KNIME).
    Kralj S, Jukič M, Bren U.
    Int J Mol Sci; 2022 May 20; 23(10):. PubMed ID: 35628532
    [Abstract] [Full Text] [Related]

  • 23. Cheminformatics in the Identification of Drug Classes for the Treatment of Type 2 Diabetes.
    Finn PW.
    Methods Mol Biol; 2020 May 20; 2076():71-84. PubMed ID: 31586322
    [Abstract] [Full Text] [Related]

  • 24. Web tools for predictive toxicology model building.
    Jeliazkova N.
    Expert Opin Drug Metab Toxicol; 2012 Jul 20; 8(7):791-801. PubMed ID: 22577953
    [Abstract] [Full Text] [Related]

  • 25. Molecular Similarity in Computational Toxicology.
    Floris M, Olla S.
    Methods Mol Biol; 2018 Jul 20; 1800():171-179. PubMed ID: 29934892
    [Abstract] [Full Text] [Related]

  • 26. TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows.
    Sydow D, Wichmann M, Rodríguez-Guerra J, Goldmann D, Landrum G, Volkamer A.
    J Chem Inf Model; 2019 Oct 28; 59(10):4083-4086. PubMed ID: 31612715
    [Abstract] [Full Text] [Related]

  • 27. Mind the Gap! A Journey towards Computational Toxicology.
    Mangiatordi GF, Alberga D, Altomare CD, Carotti A, Catto M, Cellamare S, Gadaleta D, Lattanzi G, Leonetti F, Pisani L, Stefanachi A, Trisciuzzi D, Nicolotti O.
    Mol Inform; 2016 Sep 28; 35(8-9):294-308. PubMed ID: 27546034
    [Abstract] [Full Text] [Related]

  • 28. Ligand- and Structure-Based Drug Design and Optimization using KNIME.
    Mazanetz MP, Goode CHF, Chudyk EI.
    Curr Med Chem; 2020 Sep 28; 27(38):6458-6479. PubMed ID: 30963962
    [Abstract] [Full Text] [Related]

  • 29. Cheminformatics Microservice: unifying access to open cheminformatics toolkits.
    Chandrasekhar V, Sharma N, Schaub J, Steinbeck C, Rajan K.
    J Cheminform; 2023 Oct 16; 15(1):98. PubMed ID: 37845745
    [Abstract] [Full Text] [Related]

  • 30. Cheminformatics Toolboxes and Workflows within KNIME Analytics.
    Afantitis A, Melagraki G.
    Curr Med Chem; 2020 Oct 16; 27(38):6442-6443. PubMed ID: 33222663
    [No Abstract] [Full Text] [Related]

  • 31. Open source drug discovery with bioclipse.
    Spjuth O, Carlsson L, Alvarsson J, Georgiev V, Willighagen E, Eklund M.
    Curr Top Med Chem; 2012 Oct 16; 12(18):1980-6. PubMed ID: 23110533
    [Abstract] [Full Text] [Related]

  • 32. Chembench: a cheminformatics workbench.
    Walker T, Grulke CM, Pozefsky D, Tropsha A.
    Bioinformatics; 2010 Dec 01; 26(23):3000-1. PubMed ID: 20889496
    [Abstract] [Full Text] [Related]

  • 33. Using open source computational tools for predicting human metabolic stability and additional absorption, distribution, metabolism, excretion, and toxicity properties.
    Gupta RR, Gifford EM, Liston T, Waller CL, Hohman M, Bunin BA, Ekins S.
    Drug Metab Dispos; 2010 Nov 01; 38(11):2083-90. PubMed ID: 20693417
    [Abstract] [Full Text] [Related]

  • 34. Computational Approaches in Multitarget Drug Discovery.
    Scotti L, Ishiki HM, Duarte MC, Oliveira TB, Scotti MT.
    Methods Mol Biol; 2018 Nov 01; 1800():327-345. PubMed ID: 29934901
    [Abstract] [Full Text] [Related]

  • 35. Screening Chemicals for Receptor-Mediated Toxicological and Pharmacological Endpoints: Using Public Data to Build Screening Tools within a KNIME Workflow.
    Steinmetz FP, Mellor CL, Meinl T, Cronin MT.
    Mol Inform; 2015 Feb 01; 34(2-3):171-8. PubMed ID: 27490039
    [Abstract] [Full Text] [Related]

  • 36. DataWarrior: an evaluation of the open-source drug discovery tool.
    López-López E, Naveja JJ, Medina-Franco JL.
    Expert Opin Drug Discov; 2019 Apr 01; 14(4):335-341. PubMed ID: 30806519
    [Abstract] [Full Text] [Related]

  • 37. Deep Learning in Chemistry.
    Mater AC, Coote ML.
    J Chem Inf Model; 2019 Jun 24; 59(6):2545-2559. PubMed ID: 31194543
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  • 38. In Silico Identification and Evaluation of Natural Products as Potential Tumor Necrosis Factor Function Inhibitors Using Advanced Enalos Asclepios KNIME Nodes.
    Papadopoulou D, Drakopoulos A, Lagarias P, Melagraki G, Kollias G, Afantitis A.
    Int J Mol Sci; 2021 Sep 23; 22(19):. PubMed ID: 34638561
    [Abstract] [Full Text] [Related]

  • 39. Exploring open cheminformatics approaches for categorizing per- and polyfluoroalkyl substances (PFASs).
    Sha B, Schymanski EL, Ruttkies C, Cousins IT, Wang Z.
    Environ Sci Process Impacts; 2019 Nov 01; 21(11):1835-1851. PubMed ID: 31576380
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  • 40. TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration.
    Urán Landaburu L, Berenstein AJ, Videla S, Maru P, Shanmugam D, Chernomoretz A, Agüero F.
    Nucleic Acids Res; 2020 Jan 08; 48(D1):D992-D1005. PubMed ID: 31680154
    [Abstract] [Full Text] [Related]

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