Biological Activity, Physical Properties, and Toxicity

Pal, Ranita ; Chattaraj, Pratim Kumar (2021) Biological Activity, Physical Properties, and Toxicity International Journal of Quantitative Structure-Property Relationships, 6 (3). pp. 25-34. ISSN 2379-7487

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Official URL: http://doi.org/10.4018/IJQSPR.2021070102

Related URL: http://dx.doi.org/10.4018/IJQSPR.2021070102

Abstract

In the current pandemic-stricken world, quantitative structure-activity relationship (QSAR) analysis has become a necessity in the domain of molecular biology and drug design, realizing that it helps estimate properties and activities of a compound, without actually having to spend time and resources to synthesize it in the laboratory. Correlating the molecular structure of a compound with its activity depends on the choice of the descriptors, which becomes a difficult and confusing task when we have so many to choose from. In this mini-review, the authors delineate the importance of very simple and easy to compute descriptors in estimating various molecular properties/toxicity.

Item Type:Article
Source:Copyright of this article belongs to IGI Global
ID Code:133466
Deposited On:29 Dec 2022 03:41
Last Modified:29 Dec 2022 03:41

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