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Journal Abstract Search

333 related items for PubMed ID: 25894297

  • 1. The purchasable chemical space: a detailed picture.
    Lucas X, Grüning BA, Bleher S, Günther S.
    J Chem Inf Model; 2015 May 26; 55(5):915-24. PubMed ID: 25894297
    [Abstract] [Full Text] [Related]

  • 2. Expanding the medicinally relevant chemical space with compound libraries.
    López-Vallejo F, Giulianotti MA, Houghten RA, Medina-Franco JL.
    Drug Discov Today; 2012 Jul 26; 17(13-14):718-26. PubMed ID: 22515962
    [Abstract] [Full Text] [Related]

  • 3. Charting, navigating, and populating natural product chemical space for drug discovery.
    Lachance H, Wetzel S, Kumar K, Waldmann H.
    J Med Chem; 2012 Jul 12; 55(13):5989-6001. PubMed ID: 22537178
    [Abstract] [Full Text] [Related]

  • 4. Data Resources for the Computer-Guided Discovery of Bioactive Natural Products.
    Chen Y, de Bruyn Kops C, Kirchmair J.
    J Chem Inf Model; 2017 Sep 25; 57(9):2099-2111. PubMed ID: 28853576
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  • 5. Characterization of the Chemical Space of Known and Readily Obtainable Natural Products.
    Chen Y, Garcia de Lomana M, Friedrich NO, Kirchmair J.
    J Chem Inf Model; 2018 Aug 27; 58(8):1518-1532. PubMed ID: 30010333
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  • 6. Investigation of the Click-Chemical Space for Drug Design Using ZINClick.
    Massarotti A.
    Methods Mol Biol; 2021 Aug 27; 2266():3-10. PubMed ID: 33759118
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  • 7. LEAP into the Pfizer Global Virtual Library (PGVL) space: creation of readily synthesizable design ideas automatically.
    Hu Q, Peng Z, Kostrowicki J, Kuki A.
    Methods Mol Biol; 2011 Aug 27; 685():253-76. PubMed ID: 20981528
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  • 8. Cheminformatic characterization of natural products from Panama.
    Olmedo DA, González-Medina M, Gupta MP, Medina-Franco JL.
    Mol Divers; 2017 Nov 27; 21(4):779-789. PubMed ID: 28831697
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  • 9. A screening pattern recognition method finds new and divergent targets for drugs and natural products.
    Wassermann AM, Lounkine E, Urban L, Whitebread S, Chen S, Hughes K, Guo H, Kutlina E, Fekete A, Klumpp M, Glick M.
    ACS Chem Biol; 2014 Jul 18; 9(7):1622-31. PubMed ID: 24802392
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  • 10. Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks.
    Kontijevskis A.
    J Chem Inf Model; 2017 Apr 24; 57(4):680-699. PubMed ID: 28350959
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  • 11. Natural products used as a chemical library for protein-protein interaction targeted drug discovery.
    Jin X, Lee K, Kim NH, Kim HS, Yook JI, Choi J, No KT.
    J Mol Graph Model; 2018 Jan 24; 79():46-58. PubMed ID: 29136547
    [Abstract] [Full Text] [Related]

  • 12. Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening.
    Zuegg J, Cooper MA.
    Curr Top Med Chem; 2012 Jan 24; 12(14):1500-13. PubMed ID: 22827520
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  • 13. Scopy: an integrated negative design python library for desirable HTS/VS database design.
    Yang ZY, Yang ZJ, Lu AP, Hou TJ, Cao DS.
    Brief Bioinform; 2021 May 20; 22(3):. PubMed ID: 32892221
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  • 14. Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP).
    Mirza SB, Bokhari H, Fatmi MQ.
    Curr Comput Aided Drug Des; 2015 May 20; 11(2):102-9. PubMed ID: 26343150
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  • 15. NP Navigator: A New Look at the Natural Product Chemical Space.
    Zabolotna Y, Ertl P, Horvath D, Bonachera F, Marcou G, Varnek A.
    Mol Inform; 2021 Sep 20; 40(9):e2100068. PubMed ID: 34170632
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  • 16. Fragment-based screening with natural products for novel anti-parasitic disease drug discovery.
    Liu M, Quinn RJ.
    Expert Opin Drug Discov; 2019 Dec 20; 14(12):1283-1295. PubMed ID: 31512943
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  • 17. Chemoinformatics Approach for Building Molecular Networks from Marine Organisms.
    Karthikeyan M, Nimje D, Pahujani R, Tyagi K, Bapat S, Vyas R, Pillai Padmakumar K.
    Comb Chem High Throughput Screen; 2015 Dec 20; 18(7):673-84. PubMed ID: 26138570
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  • 18. FSees: Customized Enumeration of Chemical Subspaces with Limited Main Memory Consumption.
    Lauck F, Rarey M.
    J Chem Inf Model; 2016 Sep 26; 56(9):1641-53. PubMed ID: 27617881
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  • 19. Crystallographic fragment screening.
    Badger J.
    Methods Mol Biol; 2012 Sep 26; 841():161-77. PubMed ID: 22222452
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  • 20. DrugSpaceX: a large screenable and synthetically tractable database extending drug space.
    Yang T, Li Z, Chen Y, Feng D, Wang G, Fu Z, Ding X, Tan X, Zhao J, Luo X, Chen K, Jiang H, Zheng M.
    Nucleic Acids Res; 2021 Jan 08; 49(D1):D1170-D1178. PubMed ID: 33104791
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