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Journal Abstract Search

167 related items for PubMed ID: 31242833

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  • 2. VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.
    Gally JM, Bourg S, Do QT, Aci-Sèche S, Bonnet P.
    Mol Inform; 2017 Oct; 36(10):. PubMed ID: 28586180
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  • 3. FilTer BaSe: A web accessible chemical database for small compound libraries.
    Kolte BS, Londhe SR, Solanki BR, Gacche RN, Meshram RJ.
    J Mol Graph Model; 2018 Mar; 80():95-103. PubMed ID: 29328995
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  • 5. Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approach.
    Ambure P, Bhat J, Puzyn T, Roy K.
    J Biomol Struct Dyn; 2019 Mar; 37(5):1282-1306. PubMed ID: 29578387
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  • 6. Protein Preparation Automatic Protocol for High-Throughput Inverse Virtual Screening: Accelerating the Target Identification by Computational Methods.
    De Vita S, Lauro G, Ruggiero D, Terracciano S, Riccio R, Bifulco G.
    J Chem Inf Model; 2019 Nov 25; 59(11):4678-4690. PubMed ID: 31593460
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  • 9. A reliable computational workflow for the selection of optimal screening libraries.
    Gilad Y, Nadassy K, Senderowitz H.
    J Cheminform; 2015 Nov 25; 7():61. PubMed ID: 26692904
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  • 10. Automated Virtual Screening.
    Sykora VJ.
    Methods Mol Biol; 2024 Nov 25; 2716():137-152. PubMed ID: 37702938
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  • 11. Freely Accessible Chemical Database Resources of Compounds for In Silico Drug Discovery.
    Yang J, Wang D, Jia C, Wang M, Hao G, Yang G.
    Curr Med Chem; 2019 Nov 25; 26(42):7581-7597. PubMed ID: 29737247
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  • 13. PrepFlow: A Toolkit for Chemical Library Preparation and Management for Virtual Screening.
    Sisquellas M, Cecchini M.
    Mol Inform; 2021 Dec 25; 40(12):e2100139. PubMed ID: 34448369
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  • 14. Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow.
    Moreira-Filho JT, Ranganath D, Conway M, Schmitt C, Kleinstreuer N, Mansouri K.
    J Cheminform; 2024 Aug 16; 16(1):101. PubMed ID: 39152469
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  • 17. Integrated in silico-in vitro strategy for screening of some traditional Egyptian plants for human aromatase inhibitors.
    Dawood HM, Ibrahim RS, Shawky E, Hammoda HM, Metwally AM.
    J Ethnopharmacol; 2018 Oct 05; 224():359-372. PubMed ID: 29909120
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  • 20. 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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