Novel quantitative structure–activity relationship model to predict activities of natural products against COVID‐19
نویسندگان
چکیده
Currently, COVID-19 is spreading in a large scale while no efficient vaccine has been produced. A high-effective drug for very necessary now. We established satisfied quantitative structure–activity relationship model by gene expression programming to predict the IC50 value of natural compounds. total 27 products were optimized heuristic method CODESSA program build liner model. Based on it, only two descriptors selected and utilized nonlinear programming. The square correlation coefficient s2 0.80 0.10, respectively. In programming, mean error training set 0.91 0.04. test are 0.86 0.1. This stronger predictive ability develop targeted drugs COVID-19.
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ژورنال
عنوان ژورنال: Chemical Biology & Drug Design
سال: 2021
ISSN: ['1747-0277', '1747-0285']
DOI: https://doi.org/10.1111/cbdd.13822