Biological Activity, Physical Properties, and Toxicity
2021 ◽
Vol 6
(3)
◽
pp. 25-34
Keyword(s):
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.
2010 ◽
Vol 150
◽
pp. 60-60
◽
1995 ◽
pp. 354-374
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2020 ◽
Vol 702
◽
pp. 134593
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