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 *

267 related articles for article (PubMed ID: 23963658)

  • 1. Estimation of the size of drug-like chemical space based on GDB-17 data.
    Polishchuk PG; Madzhidov TI; Varnek A
    J Comput Aided Mol Des; 2013 Aug; 27(8):675-9. PubMed ID: 23963658
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Visualization and virtual screening of the chemical universe database GDB-17.
    Ruddigkeit L; Blum LC; Reymond JL
    J Chem Inf Model; 2013 Jan; 53(1):56-65. PubMed ID: 23259841
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.
    Blum LC; van Deursen R; Reymond JL
    J Comput Aided Mol Des; 2011 Jul; 25(7):637-47. PubMed ID: 21618009
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
    Blum LC; Reymond JL
    J Am Chem Soc; 2009 Jul; 131(25):8732-3. PubMed ID: 19505099
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Fragment Database FDB-17.
    Visini R; Awale M; Reymond JL
    J Chem Inf Model; 2017 Apr; 57(4):700-709. PubMed ID: 28375006
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 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]  

  • 8. Medicinal Chemistry Aware Database GDBMedChem.
    Awale M; Sirockin F; Stiefl N; Reymond JL
    Mol Inform; 2019 Aug; 38(8-9):e1900031. PubMed ID: 31169974
    [TBL] [Abstract][Full Text] [Related]  

  • 9. MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.
    Awale M; van Deursen R; Reymond JL
    J Chem Inf Model; 2013 Feb; 53(2):509-18. PubMed ID: 23297797
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Cluster analysis of the DrugBank chemical space using molecular quantum numbers.
    Awale M; Reymond JL
    Bioorg Med Chem; 2012 Sep; 20(18):5372-8. PubMed ID: 22465859
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Exploring chemical space for drug discovery using the chemical universe database.
    Reymond JL; Awale M
    ACS Chem Neurosci; 2012 Sep; 3(9):649-57. PubMed ID: 23019491
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ring system-based chemical graph generation for de novo molecular design.
    Miyao T; Kaneko H; Funatsu K
    J Comput Aided Mol Des; 2016 May; 30(5):425-46. PubMed ID: 27299746
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. 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]  

  • 15. Size estimation of chemical space: how big is it?
    Drew KL; Baiman H; Khwaounjoo P; Yu B; Reynisson J
    J Pharm Pharmacol; 2012 Apr; 64(4):490-5. PubMed ID: 22420655
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration.
    Bellmann L; Penner P; Rarey M
    J Chem Inf Model; 2019 Nov; 59(11):4625-4635. PubMed ID: 31652055
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Searching for substructures in fragment spaces.
    Ehrlich HC; Volkamer A; Rarey M
    J Chem Inf Model; 2012 Dec; 52(12):3181-9. PubMed ID: 23205736
    [TBL] [Abstract][Full Text] [Related]  

  • 18. The chemical space project.
    Reymond JL
    Acc Chem Res; 2015 Mar; 48(3):722-30. PubMed ID: 25687211
    [TBL] [Abstract][Full Text] [Related]  

  • 19. De Novo Molecule Design by Translating from Reduced Graphs to SMILES.
    Pogány P; Arad N; Genway S; Pickett SD
    J Chem Inf Model; 2019 Mar; 59(3):1136-1146. PubMed ID: 30525594
    [TBL] [Abstract][Full Text] [Related]  

  • 20. SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules.
    Schwartz J; Awale M; Reymond JL
    J Chem Inf Model; 2013 Aug; 53(8):1979-89. PubMed ID: 23845040
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.