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This chapter briefly discusses the history, status, and use of different classes of chemodescriptors and biodescriptors, both experimentally determined and computed from structure, in the formulation of predictive models. Possible future uses of the various classes of descriptors in model building at this age of big data analytics are highlighted.

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Approaching Modeling in Chemoinformatics and Bioinformatics Using Mathematical Descriptors: Some Comments on the Emerging Landscape and Future Directions

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  • 发表日期：

    2025年

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  • Subhash C. Basak

摘要

This chapter briefly discusses the history, status, and use of different classes of chemodescriptors and biodescriptors, both experimentally determined and computed from structure, in the formulation of predictive models. Possible future uses of the various classes of descriptors in model building at this age of big data analytics are highlighted.