Applequist WL, Miller JS. Selection and authentication of botanical materials for the development of analytical methods. Anal Bioanal Chem. 2013;405(13):4419–28. https://doi.org/10.1007/s00216-012-6595-1.

Article  CAS  PubMed  Google Scholar 

Spinardi A, Cola G, Gardana CS, Mignani I. Variation of anthocyanin content and profile throughout fruit development and ripening of highbush blueberry cultivars grown at two different altitudes. Front Plant Sci. 2019;10:1045. https://doi.org/10.3389/fpls.2019.01045.

Article  PubMed  PubMed Central  Google Scholar 

Wang H, Cao X, Yuan Z, Guo G. Untargeted metabolomics coupled with chemometrics approach for Xinyang Maojian green tea with cultivar, elevation and processing variations. Food Chem. 2021;352:129359. https://doi.org/10.1016/j.foodchem.2021.129359.

Article  CAS  PubMed  Google Scholar 

Perez De Souza L, Alseekh S, Naake T, Fernie A. Mass spectrometry-based untargeted plant metabolomics. CP Plant Biol. 2019;4(4):e20100. https://doi.org/10.1002/cppb.20100.

Article  CAS  Google Scholar 

Abraham EJ, Kellogg JJ. Chemometric-guided approaches for profiling and authenticating botanical materials. Front Nutr. 2021;8:780228.

Article  PubMed  PubMed Central  Google Scholar 

Hosbas Coskun S, Wise SA, Kuszak AJ. The importance of reference materials and method validation for advancing research on the health effects of dietary supplements and other natural products. Front Nutr. 2021;8:786261. https://doi.org/10.3389/fnut.2021.786261.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Wold S, Sjöström M, Eriksson L. PLS-regression: a basic tool of chemometrics. Chemom Intell Lab Syst. 2001;58(2):109–30. https://doi.org/10.1016/S0169-7439(01)00155-1.

Article  CAS  Google Scholar 

Walkowiak A, Ledziński Ł, Zapadka M, Kupcewicz B. Detection of adulterants in dietary supplements with Ginkgo biloba extract by attenuated total reflectance Fourier transform infrared spectroscopy and multivariate methods PLS-DA and PCA. Spectrochim Acta Part A Mol Biomol Spectrosc. 2019;208:222–8. https://doi.org/10.1016/j.saa.2018.10.008.

Article  CAS  Google Scholar 

Sarkar R, Chatterjee N, Shaikh N, et al. Authentication of Tinospora cordifolia derived herbal supplements using high resolution mass spectrometry-based metabolomics approach – a pilot study. Ind Crops Prod. 2023;200:116835. https://doi.org/10.1016/j.indcrop.2023.116835.

Article  CAS  Google Scholar 

Barbosa S, Saurina J, Puignou L, Núñez O. Classification and authentication of paprika by UHPLC-HRMS fingerprinting and multivariate calibration methods (PCA and PLS-DA). Foods. 2020;9(4):486. https://doi.org/10.3390/foods9040486.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Gad HA, El-Ahmady SH, Abou-Shoer MI, Al-Azizi MM. Application of chemometrics in authentication of herbal medicines: a review. Phytochem Anal. 2013;24(1):1–24. https://doi.org/10.1002/pca.2378.

Article  CAS  PubMed  Google Scholar 

Babyak MA. What you see may not be what you get: a brief, nontechnical introduction to overfitting in regression-type models. Psychosom Med. 2004;66:411–21.

PubMed  Google Scholar 

Tibshirani R. Regression shrinkage and selection via the lasso. J Roy Stat Soc: Ser B (Methodol). 1996;58(1):267–88. https://doi.org/10.1111/j.2517-6161.1996.tb02080.x.

Article  Google Scholar 

Ranstam J, Cook JA. LASSO regression. Br J Surg. 2018;105(10):1348–1348. https://doi.org/10.1002/bjs.10895.

Article  Google Scholar 

Bujak R, Daghir-Wojtkowiak E, Kaliszan R, Markuszewski MJ. PLS-based and regularization-based methods for the selection of relevant variables in non-targeted metabolomics data. Front Mol Biosci. 2016;3. https://doi.org/10.3389/fmolb.2016.00035.

Zhu Y, Tan TL, Cheang WK. Penalized logistic regression for classification and feature selection with its application to detection of two official species of Ganoderma. Chemom Intell Lab Syst. 2017;171:55–64. https://doi.org/10.1016/j.chemolab.2017.09.019.

Article  CAS  Google Scholar 

Breiman L. Random Forests. Mach Learn. 2001;45(1):5–32. https://doi.org/10.1023/A:1010933404324.

Article  Google Scholar 

Patel RP, Singh R, Saikia SK, et al. Phenotypic characterization and stability analysis for biomass and essential oil yields of fifteen genotypes of five Ocimum species. Ind Crops Prod. 2015;77:21–9. https://doi.org/10.1016/j.indcrop.2015.08.043.

Article  CAS  Google Scholar 

Zahran EM, Abdelmohsen UR, Khalil HE, et al. Diversity, phytochemical and medicinal potential of the genus Ocimum L. (Lamiaceae). Phytochem Rev. 2020;19(4):907–53. https://doi.org/10.1007/s11101-020-09690-9.

Article  CAS  Google Scholar 

Fuller NJ, Pegg RB, Affolter J, Berle D. Variation in growth and development, and essential oil yield between two Ocimum species (O. tenuiflorum and O. gratissimum) grown in Georgia. Horts. 2018;53(9):1275–82. https://doi.org/10.21273/HORTSCI13156-18.

Article  Google Scholar 

Kellogg JJ, Todd DA, Egan JM, et al. Biochemometrics for natural products research: comparison of data analysis approaches and application to identification of bioactive compounds. J Nat Prod. 2016;79(2):376–86. https://doi.org/10.1021/acs.jnatprod.5b01014.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Kellogg JJ, Alonso MN, Jordan RT, et al. A methoxylated flavone from Artemisia afra kills Mycobacterium tuberculosis; preprint. Microbiology. 2023. https://doi.org/10.1101/2023.10.11.561885.

Schmid R, Heuckeroth S, Korf A, et al. Integrative analysis of multimodal mass spectrometry data in MZmine 3. Nat Biotechnol. 2023;41(4):447–9. https://doi.org/10.1038/s41587-023-01690-2.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Van Den Berg RA, Hoefsloot HC, Westerhuis JA, Smilde AK, Van Der Werf MJ. Centering, scaling, and transformations: improving the biological information content of metabolomics data. BMC Genomics. 2006;7(1):142. https://doi.org/10.1186/1471-2164-7-142.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Oksanen J, Simpson GL, Blanchet FG, et al. vegan: Community Ecology Package.  R package version 2.6-4. 2022. https://CRAN.R-project.org/package=vegan

Rohart F, Gautier B, Singh A, Lê Cao K-A. mixOmics: an R Package for ‘omics feature selection and multiple data integration. PLoS Comput Biol. 2017;13(11):e1005752. https://doi.org/10.1371/journal.pcbi.1005752.

Article  CAS  PubMed  PubMed Central  Google Scholar 

Friedman JH, Hastie T, Tibshirani R. Regularization paths for generalized linear models via coordinate descent. J Stat Soft. 2010;33(1):1–22. https://doi.org/10.18637/jss.v033.i01.

Article  Google Scholar 

Liaw A, Wiener M. Classification and regression by randomForest. R News. 2002;2/3:18–22.

Google Scholar 

Do TKT, Schmid M, Phanse M, et al. Development of the first universal mixture for use in system suitability tests for high-performance thin layer chromatography. J Chromatogr A. 2021;1638:461830. https://doi.org/10.1016/j.chroma.2020.461830.

Article  CAS  PubMed  Google Scholar 

U. S. Pharmacopeia. 203 High-performance thin-layer chromatography procedure for identification of articles of botanical origin. First Supplement to USP 38–NF 33. 2017:7044-7045.

Perera WH, Frommenwiler DA, Sharaf MHM, Reich E. An improved high-performance thin-layer chromatographic method to unambiguously assess Ginkgo biloba leaf finished products. JPC-J Planar Chromat. 2021;34(6):559–60. https://doi.org/10.1007/s00764-021-00146-0.

Article  CAS  Google Scholar 

Malav P, Pandey A, Bhatt KC, Gopala Krishnan S, Bisht IS. Morphological variability in holy basil (Ocimum tenuiflorum L.) from India. Genet Resour Crop Evol. 2015;62(8):1245–56. https://doi.org/10.1007/s10722-015-0227-5.

Article  Google Scholar 

Kumar N, editor. Biotechnological approaches for medicinal and aromatic plants: conservation, genetic improvement and utilization. Singapore: Springer Singapore; 2018. https://doi.org/10.1007/978-981-13-0535-1.

Book  Google Scholar 

Bhamra SK, Heinrich M, Johnson MRD, Howard C, Slater A. The cultural and commercial value of Tulsi (Ocimum tenuiflorum L.): multidisciplinary approaches focusing on species authentication. Plants. 2022;11(22):3160. https://doi.org/10.3390/plants11223160.

Article  CAS  PubMed  PubMed Central  Google Scholar