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Review
. 2025 Aug;29(4):3703-3715.
doi: 10.1007/s11030-024-11056-8. Epub 2024 Dec 5.

A bibliometric analysis of the Cheminformatics/QSAR literature (2000-2023) for predictive modeling in data science using the SCOPUS database

Arkaprava Banerjee  1 , Kunal Roy  2 , Paola Gramatica  3
Affiliations
Review

A bibliometric analysis of the Cheminformatics/QSAR literature (2000-2023) for predictive modeling in data science using the SCOPUS database

Arkaprava Banerjee et al. Mol Divers. 2025 Aug.

Abstract

A bibliometric analysis of the Cheminformatics/QSAR articles published in the present century (2000-2023) is presented based on a SCOPUS search made in October 2024 using a given set of search criteria. The obtained results of 52,415 documents against the specific query are analyzed based on the number of documents per year, contributions of different countries and Institutes in Cheminformatics/QSAR publications, the contributions of researchers based on the number of documents, appearance in the top-cited articles, h-index, composite c-score (ns), and the newly introduced q-score. Finally, a list of the top 50 Cheminformatics/QSAR researchers is presented. An analysis is also made for the content of the top-cited articles during the period 2000-2023 in comparison to those before 2000 to capture the trend of changes in the Cheminformatics/QSAR research. The limiting factors of any bibliometric analysis are also briefly presented.

Keywords: Bibliometric analysis; Cheminformatics; Chemoinformatics; Chemometrics; QSAR; QSPR; QSTR.

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Conflict of interest statement

Declarations. Conflict of interest: The authors declare no competing interests.

References

    1. Tkatchenko A (2020) Machine learning for chemical discovery. Nat Commun 11:4125. https://doi.org/10.1038/s41467-020-17844-8 - DOI - PubMed - PMC
    1. Anonymous (2020) Computation sparks chemical discovery. Nat Commun 11:4811. https://doi.org/10.1038/s41467-020-18651-x - DOI
    1. https://www.nobelprize.org/prizes/chemistry/2024/press-release/ (Accessed 15 Oct 2024)
    1. https://www.nobelprize.org/prizes/physics/2024/press-release/ (Accessed 15 Oct 2024)
    1. Xu J, Hagler A (2002) Chemoinformatics and drug discovery. Molecules 7:566–600. https://doi.org/10.3390/70800566 - DOI - PMC

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