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Table 1 The ten articles attracting the largest numbers of citations up to the end of 2020

From: Commentary: the first twelve years of the Journal of Cheminformatics

Hanwell MD et al. (2012) Avogadro: an advanced semantic chemical editor, visualization, and analysis platform J Cheminform 4:17 (2697 citations)
O’Boyle NM et al. (2011) Open Babel: an open chemical toolbox J Cheminform 3:33 (2445 citations)
Ru J et al. (2014) TCMSP: a database of systems pharmacology for drug discovery from herbal medicines J Cheminform 6:13 (640 citations)
Bikadi Z, Hazai E.(2009) Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock J Cheminform 1:15 (327 citations)
DeHaven CD et al. (2009) Organization of GC/MS and LC/MS metabolomics data into chemical libraries J Cheminform 2:9 (319 citations)
Ruttkies C et al. (2016) MetFrag relaunched: incorporating strategies beyond in silico fragmentation J Cheminform 8:3 (276 citations)
Bajusz D et al. (2015) Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations? J Cheminform 7:20 (255 citations)
Krstajic D et al. (2014) Cross-validation pitfalls when selecting and assessing regression and classification models J Cheminform 6:10 (212 citations)
Ertl P, Schuffenhauer A. (2009) Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions J Cheminform 1:8 (200 citations)
O'Boyle NM et al. (2011) Confab—Systematic generation of diverse low-energy conformers J Cheminform 3:8 (188 citations)