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Browse Journal of Cheminformatics for Top 10 most accessed articles for last 30 days |
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Top 10 most accessed articles for last 30 days / past year / all time  [more info] |
1.
Accesses
898 |
Review
 
Molecular structure input on the web
Peter Ertl
Journal of Cheminformatics 2010, 2:1 (2 February 2010)
[Abstract] [Full Text] [PDF] [1 comment]
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2.
Accesses
464 |
Research article
Interpretable correlation descriptors for quantitative structure-activity relationships
Benson M Spowage, Craig L Bruce, Jonathan D Hirst
Journal of Cheminformatics 2009, 1:22 (24 December 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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3.
Accesses
423 |
Research article
Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream
Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony J Williams, Tatiana Churanova
Journal of Cheminformatics 2009, 1:3 (17 March 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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4.
Accesses
410 |
Research article
Virtual screening of bioassay data
Amanda C Schierz
Journal of Cheminformatics 2009, 1:21 (22 December 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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5.
Accesses
388 |
Research article
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions
Peter Ertl, Ansgar Schuffenhauer
Journal of Cheminformatics 2009, 1:8 (10 June 2009)
[Abstract] [Full Text] [PDF]
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6.
Accesses
309 |
Research article
Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell
Journal of Cheminformatics 2009, 1:14 (25 August 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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7.
Accesses
277 |
Research article
Quantitative assessment of the expanding complementarity between public and commercial databases of bioactive compounds
Christopher Southan, Péter Várkonyi, Sorel Muresan
Journal of Cheminformatics 2009, 1:10 (6 July 2009)
[Abstract] [Full Text] [PDF]
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8.
Accesses
268 |
Software
The PubChem chemical structure sketcher
Wolf D Ihlenfeldt, Evan E Bolton, Stephen H Bryant
Journal of Cheminformatics 2009, 1:20 (17 December 2009)
[Abstract] [Full Text] [PDF]
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9.
Accesses
247 |
Research article
Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock
Zsolt Bikadi, Eszter Hazai
Journal of Cheminformatics 2009, 1:15 (11 September 2009)
[Abstract] [Full Text] [PDF] [PubMed] [Related articles]
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10.
Accesses
236 |
Research article
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
Journal of Cheminformatics 2010, 2:2 (11 March 2010)
[Abstract] [Provisional PDF]
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