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Journal Abstract Search

234 related items for PubMed ID: 26692904

  • 1. A reliable computational workflow for the selection of optimal screening libraries.
    Gilad Y, Nadassy K, Senderowitz H.
    J Cheminform; 2015; 7():61. PubMed ID: 26692904
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  • 2. Design of a Fragment-Screening Library.
    Taylor A, Doak BC, Scanlon MJ.
    Methods Enzymol; 2018; 610():97-115. PubMed ID: 30390807
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  • 3. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A, Paricharak S, Galloway WR, Spring DR, Ijzerman AP, Glen RC, Marcus D, Bender A.
    J Chem Inf Model; 2014 Jan 27; 54(1):230-42. PubMed ID: 24289493
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  • 5. VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening.
    Gally JM, Bourg S, Fogha J, Do QT, Aci-Sèche S, Bonnet P.
    Curr Med Chem; 2020 Jan 27; 27(38):6480-6494. PubMed ID: 31242833
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  • 6. An Automated, Open-Source Workflow for the Generation of (3D) Fragment Libraries.
    Dekker T, Janssen MACH, Sutherland C, Aben RWM, Scheeren HW, Blanco-Ania D, Rutjes FPJT, Wijtmans M, de Esch IJP.
    ACS Med Chem Lett; 2023 May 11; 14(5):583-590. PubMed ID: 37197454
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  • 8. A physicochemical descriptor-based scoring scheme for effective and rapid filtering of kinase-like chemical space.
    Singh N, Sun H, Chaudhury S, Abdulhameed MD, Wallqvist A, Tawa G.
    J Cheminform; 2012 Feb 08; 4(1):4. PubMed ID: 22316383
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  • 10. HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical libraries.
    Popov KI, Wellnitz J, Maxfield T, Tropsha A.
    Mol Inform; 2024 Jan 08; 43(1):e202300207. PubMed ID: 37802967
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