EDP Sciences logo
Subscriber Authentication Point
Search
Menu
Home All issues Volume 30 / No 12 (Décembre 2014) Med Sci (Paris), 30 12 (2014) 1152-1160 References
Chémobiologie
Free Access
Issue
Med Sci (Paris)
Volume 30, Number 12, Décembre 2014
Chémobiologie
Page(s) 1152 - 1160
Section M/S Revues
DOI https://doi.org/10.1051/medsci/20143012019
Published online 24 December 2014
  1. Vayer P, Arrault A, Lesur B, et al. Apports de la chémoinformatique dans la recherche et l’optimisation des molécules d’intérêt thérapeutique. Med Sci (Paris) 2009 ; 25 : 871–877. [CrossRef] [EDP Sciences] [PubMed] [Google Scholar]
  2. Rognan D. Chemogenomic approaches to rational drug design. Br J Pharmacol 2007 ; 152 : 38–52. [CrossRef] [PubMed] [Google Scholar]
  3. Scior T, Bender A, Tresadern G, et al. Recognizing pitfalls in virtual screening : a critical review. J Chem Inf Model 2012 ; 52 : 867–881. [CrossRef] [PubMed] [Google Scholar]
  4. Krier M, Bret G, Rognan D. Assessing the scaffold diversity of screening libraries. J Chem Inf Model 2006 ; 46 : 512–514. [CrossRef] [PubMed] [Google Scholar]
  5. Clark DE, Pickett SD. Computational methods for the prediction of drug-likeness. Drug Discov Today 2000 ; 5 : 49–58. [CrossRef] [Google Scholar]
  6. Hann MM, Oprea TI. Pursuing the leadlikeness concept in pharmaceutical research. Curr Opin Chem Biol 2004 ; 8 : 255–263. [CrossRef] [PubMed] [Google Scholar]
  7. Congreve M, Chessari G, Tisi D, Woodhead AJ. Recent developments in fragment-based drug discovery. J Med Chem 2008 ; 51 : 3661–3680. [CrossRef] [PubMed] [Google Scholar]
  8. Irwin JJ, Sterling T, Mysinger MM, et al. ZINC : a free tool to discover chemistry for biology. J Chem Inf Model 2012 ; 52 : 1757–1768. [CrossRef] [PubMed] [Google Scholar]
  9. Chemaxon. Disponible à : http://www.chemaxon.com/marvin/help/applications/molconvert.html. [Google Scholar]
  10. Hibert MF. French/European academic compound library initiative. Drug Discov Today 2009 ; 14 : 723–725. [CrossRef] [PubMed] [Google Scholar]
  11. Chimiothèque nationale. Disponible à : http://chimiotheque-nationale.org [Google Scholar]
  12. Projet Eu_openscreen. Disponible à : http://www.eu-openscreen.de [Google Scholar]
  13. Law V, Knox C, Djoumbou Y, et al. DrugBank 4.0 : shedding new light on drug metabolism. Nucleic Acids Res 2014 ; 42 : D1091–D1097. [CrossRef] [PubMed] [Google Scholar]
  14. Integrity. Disponible à : https://integrity.thomson-pharma.com/integrity/xmlxsl [Google Scholar]
  15. Prestwick Chemical. Disponible à : http://www.prestwickchemical.com/index.php?pa=26 [Google Scholar]
  16. Sigma-Aldrich. Disponible à : http://www.sigmaaldrich.com/chemistry/drug-discovery/validation-libraries/lopac1280-navigator.html [Google Scholar]
  17. Ruddigkeit L, van Deursen R, Blum LC, Reymond JL. Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17. J Chem Inf Model 2012 ; 52 : 2864–2875. [CrossRef] [PubMed] [Google Scholar]
  18. Blum LC, Reymond JL. 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13. J Am Chem Soc 2009 ; 131 : 8732–8733. [CrossRef] [PubMed] [Google Scholar]
  19. Fink T, Reymond JL. 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. J Chem Inf Model 2007 ; 47 : 342–353. [CrossRef] [PubMed] [Google Scholar]
  20. Blum LC, van Deursen R, Bertrand S, et al. Discovery of alpha7-nicotinic receptor ligands by virtual screening of the chemical universe database GDB-13. J Chem Inf Model 2011 ; 51 : 3105–3112. [CrossRef] [PubMed] [Google Scholar]
  21. Schneider G. De novo design - hop(p)ing against hope. Drug Discov Today Technol 2013 ; 10 : e453–e460. [CrossRef] [PubMed] [Google Scholar]
  22. Lagorce D, Maupetit J, Baell J, et al. The FAF-Drugs2 server : a multistep engine to prepare electronic chemical compound collections. Bioinformatics 2011 ; 27 : 2018–2020. [CrossRef] [PubMed] [Google Scholar]
  23. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 2001 ; 46 : 3–26. [CrossRef] [PubMed] [Google Scholar]
  24. Pipeline Pilot, version 8.5. Accelrys, Inc. : San Diego, CA 92121. [Google Scholar]
  25. Chemaxon. Disponible à : http://www.chemaxon.com [Google Scholar]
  26. RDKit. Open-source cheminformatics. Available at : http://www.rdkit.org [Google Scholar]
  27. Knime. The Konstanz Information Miner. Available at : http://www.knime.org/ [Google Scholar]
  28. Le Guilloux V, Arrault A, Colliandre L, et al. Mining collections of compounds with Screening Assistant 2. J Cheminformatics 2012 ; 4 : 20. [CrossRef] [Google Scholar]
  29. http://sa2.sourceforge.net [Google Scholar]
  30. Le Guilloux V, Colliandre L, Bourg S, et al. Visual characterization and diversity quantification of chemical libraries : 1. creation of delimited reference chemical subspaces. J Chem Inf Model 2011 ; 51 : 1762–1774. [CrossRef] [PubMed] [Google Scholar]
  31. Baell JA, Walters MA. Chemical con artists foil drug discovery. Nature 2014 ; 513 : 481–483. [CrossRef] [PubMed] [Google Scholar]

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.