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Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

319 related items for PubMed ID: 12767158

  • 21. Visualization of high-dimensional combinatorial catalysis data.
    Suh C, Sieg SC, Heying MJ, Oliver JH, Maier WF, Rajan K.
    J Comb Chem; 2009; 11(3):385-92. PubMed ID: 19298082
    [Abstract] [Full Text] [Related]

  • 22. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY, Itai A.
    J Med Chem; 2004 Sep 23; 47(20):4818-28. PubMed ID: 15369385
    [Abstract] [Full Text] [Related]

  • 23. "Bayes affinity fingerprints" improve retrieval rates in virtual screening and define orthogonal bioactivity space: when are multitarget drugs a feasible concept?
    Bender A, Jenkins JL, Glick M, Deng Z, Nettles JH, Davies JW.
    J Chem Inf Model; 2006 Sep 23; 46(6):2445-56. PubMed ID: 17125186
    [Abstract] [Full Text] [Related]

  • 24. Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances.
    Peltason L, Bajorath J.
    Future Med Chem; 2009 Jun 23; 1(3):451-66. PubMed ID: 21426126
    [Abstract] [Full Text] [Related]

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  • 26. Development of a method for evaluating drug-likeness and ease of synthesis using a data set in which compounds are assigned scores based on chemists' intuition.
    Takaoka Y, Endo Y, Yamanobe S, Kakinuma H, Okubo T, Shimazaki Y, Ota T, Sumiya S, Yoshikawa K.
    J Chem Inf Comput Sci; 2003 Jun 23; 43(4):1269-75. PubMed ID: 12870920
    [Abstract] [Full Text] [Related]

  • 27. A screening study of ChirBase molecular database to explore the expanded chiral pool derived from the application of chiral chromatography.
    Piras P, Roussel C.
    J Pharm Biomed Anal; 2008 Apr 14; 46(5):839-47. PubMed ID: 17942261
    [Abstract] [Full Text] [Related]

  • 28. Applications of self-organizing neural networks in virtual screening and diversity selection.
    Selzer P, Ertl P.
    J Chem Inf Model; 2006 Apr 14; 46(6):2319-23. PubMed ID: 17125175
    [Abstract] [Full Text] [Related]

  • 29. Development and validation of in silico models for estimating drug preformulation risk in PEG400/water and Tween80/water systems.
    Crivori P, Morelli A, Pezzetta D, Rocchetti M, Poggesi I.
    Eur J Pharm Sci; 2007 Nov 14; 32(3):169-81. PubMed ID: 17714921
    [Abstract] [Full Text] [Related]

  • 30. Searching chemical space with the Bayesian Idea Generator.
    van Hoorn WP, Bell AS.
    J Chem Inf Model; 2009 Oct 14; 49(10):2211-20. PubMed ID: 19788263
    [Abstract] [Full Text] [Related]

  • 31. Streamlined system for purifying and quantifying a diverse library of compounds and the effect of compound concentration measurements on the accurate interpretation of biological assay results.
    Popa-Burke IG, Issakova O, Arroway JD, Bernasconi P, Chen M, Coudurier L, Galasinski S, Jadhav AP, Janzen WP, Lagasca D, Liu D, Lewis RS, Mohney RP, Sepetov N, Sparkman DA, Hodge CN.
    Anal Chem; 2004 Dec 15; 76(24):7278-87. PubMed ID: 15595870
    [Abstract] [Full Text] [Related]

  • 32. Strategies for designing GPCR-focused libraries and screening sets.
    Jimonet P, Jäger R.
    Curr Opin Drug Discov Devel; 2004 May 15; 7(3):325-33. PubMed ID: 15216936
    [Abstract] [Full Text] [Related]

  • 33. Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis.
    Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV.
    J Chem Inf Model; 2008 Apr 15; 48(4):766-84. PubMed ID: 18311912
    [Abstract] [Full Text] [Related]

  • 34. Emerging chemical patterns: a new methodology for molecular classification and compound selection.
    Auer J, Bajorath J.
    J Chem Inf Model; 2006 Apr 15; 46(6):2502-14. PubMed ID: 17125191
    [Abstract] [Full Text] [Related]

  • 35. Finding multiactivity substructures by mining databases of drug-like compounds.
    Sheridan RP.
    J Chem Inf Comput Sci; 2003 Apr 15; 43(3):1037-50. PubMed ID: 12767163
    [Abstract] [Full Text] [Related]

  • 36. A molecular thermodynamic view of DNA-drug interactions: a case study of 25 minor-groove binders.
    Shaikh SA, Ahmed SR, Jayaram B.
    Arch Biochem Biophys; 2004 Sep 01; 429(1):81-99. PubMed ID: 15288812
    [Abstract] [Full Text] [Related]

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  • 38. A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes.
    Jenkins JL, Glick M, Davies JW.
    J Med Chem; 2004 Dec 02; 47(25):6144-59. PubMed ID: 15566286
    [Abstract] [Full Text] [Related]

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  • 40. A hierarchical clustering approach for large compound libraries.
    Böcker A, Derksen S, Schmidt E, Teckentrup A, Schneider G.
    J Chem Inf Model; 2005 Dec 02; 45(4):807-15. PubMed ID: 16045274
    [Abstract] [Full Text] [Related]

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