These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

156 related articles for article (PubMed ID: 29070411)

  • 21. WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
    Awale M; Probst D; Reymond JL
    J Chem Inf Model; 2017 Apr; 57(4):643-649. PubMed ID: 28316236
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
    Awale M; Jin X; Reymond JL
    J Cheminform; 2015; 7():3. PubMed ID: 25750664
    [TBL] [Abstract][Full Text] [Related]  

  • 23. Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds.
    Lin A; Horvath D; Afonina V; Marcou G; Reymond JL; Varnek A
    ChemMedChem; 2018 Mar; 13(6):540-554. PubMed ID: 29154440
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Fragment virtual screening based on Bayesian categorization for discovering novel VEGFR-2 scaffolds.
    Zhang Y; Jiao Y; Xiong X; Liu H; Ran T; Xu J; Lu S; Xu A; Pan J; Qiao X; Shi Z; Lu T; Chen Y
    Mol Divers; 2015 Nov; 19(4):895-913. PubMed ID: 26022686
    [TBL] [Abstract][Full Text] [Related]  

  • 25. Web-Based Tools for Polypharmacology Prediction.
    Awale M; Reymond JL
    Methods Mol Biol; 2019; 1888():255-272. PubMed ID: 30519952
    [TBL] [Abstract][Full Text] [Related]  

  • 26. PubChem and ChEMBL beyond Lipinski.
    Capecchi A; Awale M; Probst D; Reymond JL
    Mol Inform; 2019 May; 38(5):e1900016. PubMed ID: 30844149
    [TBL] [Abstract][Full Text] [Related]  

  • 27. 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; 54(1):230-42. PubMed ID: 24289493
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Expanding the fragrance chemical space for virtual screening.
    Ruddigkeit L; Awale M; Reymond JL
    J Cheminform; 2014; 6():27. PubMed ID: 24876890
    [TBL] [Abstract][Full Text] [Related]  

  • 29. Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery.
    Fink T; Reymond JL
    J Chem Inf Model; 2007; 47(2):342-53. PubMed ID: 17260980
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Getting the most out of PubChem for virtual screening.
    Kim S
    Expert Opin Drug Discov; 2016 Sep; 11(9):843-55. PubMed ID: 27454129
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Mapping of Drug-like Chemical Universe with Reduced Complexity Molecular Frameworks.
    Kontijevskis A
    J Chem Inf Model; 2017 Apr; 57(4):680-699. PubMed ID: 28350959
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Role of Open Source Tools and Resources in Virtual Screening for Drug Discovery.
    Karthikeyan M; Vyas R
    Comb Chem High Throughput Screen; 2015; 18(6):528-43. PubMed ID: 26138575
    [TBL] [Abstract][Full Text] [Related]  

  • 33. Progress in visual representations of chemical space.
    Osolodkin DI; Radchenko EV; Orlov AA; Voronkov AE; Palyulin VA; Zefirov NS
    Expert Opin Drug Discov; 2015; 10(9):959-73. PubMed ID: 26094796
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.
    van Deursen R; Blum LC; Reymond JL
    J Comput Aided Mol Des; 2011 Jul; 25(7):649-62. PubMed ID: 21618008
    [TBL] [Abstract][Full Text] [Related]  

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

  • 36. Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.
    Ruddigkeit L; van Deursen R; Blum LC; Reymond JL
    J Chem Inf Model; 2012 Nov; 52(11):2864-75. PubMed ID: 23088335
    [TBL] [Abstract][Full Text] [Related]  

  • 37. A probabilistic molecular fingerprint for big data settings.
    Probst D; Reymond JL
    J Cheminform; 2018 Dec; 10(1):66. PubMed ID: 30564943
    [TBL] [Abstract][Full Text] [Related]  

  • 38. NALDB: nucleic acid ligand database for small molecules targeting nucleic acid.
    Kumar Mishra S; Kumar A
    Database (Oxford); 2016; 2016():. PubMed ID: 26896846
    [TBL] [Abstract][Full Text] [Related]  

  • 39. ChEMBL-Likeness Score and Database GDBChEMBL.
    Bühlmann S; Reymond JL
    Front Chem; 2020; 8():46. PubMed ID: 32117874
    [TBL] [Abstract][Full Text] [Related]  

  • 40. Searching for recursively defined generic chemical patterns in nonenumerated fragment spaces.
    Ehrlich HC; Henzler AM; Rarey M
    J Chem Inf Model; 2013 Jul; 53(7):1676-88. PubMed ID: 23751070
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 8.