PubChem applications in drug discovery: a bibliometric analysis.

A bibliometric analysis of PubChem applications is presented by reviewing 1132 research articles. The massive volume of chemical structure and bioactivity data in PubChem and its online services have been used globally in various fields including chemical biology, medicinal chemistry and informatics research. PubChem supports drug discovery in many aspects such as lead identification and optimization, compound-target profiling, polypharmacology studies and unknown chemical identity elucidation. PubChem has also become a valuable resource for developing secondary databases, informatics tools and web services. The growing PubChem resource with its public availability offers support and great opportunities for the interrogation of pharmacological mechanisms and the genetic basis of diseases, which are vital for drug innovation and repurposing.

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[51]  B. Sjöberg,et al.  Discovery of antimicrobial ribonucleotide reductase inhibitors by screening in microwell format , 2012, Proceedings of the National Academy of Sciences.

[52]  Xin Chen,et al.  Discovery of Novel Pim-1 Kinase Inhibitors by a Hierarchical Multistage Virtual Screening Approach Based on SVM Model, Pharmacophore, and Molecular Docking , 2011, J. Chem. Inf. Model..

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[54]  David G. Covell,et al.  Integrating Constitutive Gene Expression and Chemoactivity: Mining the NCI60 Anticancer Screen , 2012, PloS one.

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[58]  Zigang Dong,et al.  Prediction of Molecular Targets of Cancer Preventing Flavonoid Compounds Using Computational Methods , 2012, PloS one.

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