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Review of Contemporary QSAR Study Approach

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Abstract

Background

QSAR modelling is a powerful technique widely used in the discovery and development of new drugs and chemicals.

The approach involves the use of mathematical and statistical techniques to develop models that relate biological activity to the chemical structure of compounds. An effective strategy for QSAR modelling requires an understanding of the descriptors that are used to represent the chemical structure of compounds and the selection of appropriate prediction algorithms. In this review, we were discussed the importance of developing a well-thought-out strategy for QSAR modelling, including the strategy of appropriate descriptors and physiochemical parameters were used for QSAR. We were also provided the review on the current strategies for conducting QSAR studies and discussing their parameters, descriptors and applications in drug discovery, toxicity testing, and more.

Conclusion

This finding suggests how to develop an effective QSAR modelling approach that can be used to accurately predict the activity of new compounds.

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Abbreviations

QSAR:

Quantitative structure activity relationship

SAR:

Structure Activity Relationship

logP:

Log of the partition co-efficient

pKa:

Equilibrium constant

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Authors and Affiliations

  1. Faculty of Pharmacy, Bharath Institute of Higher Education and Research, Selaiyur, Chennai, 600073, Tamil Nadu, India

    M. K. Vijayalakshmi & R. Srinivasan

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  1. M. K. Vijayalakshmi
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  2. R. Srinivasan
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Correspondence to M. K. Vijayalakshmi.

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Vijayalakshmi, M.K., Srinivasan, R. Review of Contemporary QSAR Study Approach. Chemistry Africa (2024). https://doi.org/10.1007/s42250-024-00983-6

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