3D-QSAR, docking and ADMET properties of aurone analogues as antimalarial agents
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DOI: 10.1016/j.heliyon.2020.e03580
Abstract: The development of multi-resistant strains of plasmodium parasite has become a global problem, therefore, the discovery of new antimalarial agents is the only available solution. In order to improve and propose new compounds with antimalarial… read more here.
Keywords: qsar docking; docking admet; admet properties; antimalarial agents ... See more keywords
2D and 3D-QSAR, molecular docking and ADMET properties in silico studies of azaaurones as antimalarial agents
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DOI: 10.1039/c9nj05767f
Abstract: Malaria persists as the most infectious vector-borne disease in the world. The inhibition of the mitochondrial respiratory chain enzyme cytochrome bc1 has become the major focus as a molecular target in malarial parasites. Azaaurone derivatives… read more here.
Keywords: docking admet; admet properties; test; properties silico ... See more keywords
Prediction and Screening Model for Products Based on Fusion Regression and XGBoost Classification
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DOI: 10.1155/2022/4987639
Abstract: Performance prediction based on candidates and screening based on predicted performance value are the core of product development. For example, the performance prediction and screening of equipment components and parts are an important guarantee for… read more here.
Keywords: bioactivity value; prediction screening; prediction; admet properties ... See more keywords
Computational Evaluation of ADMET Properties and Bioactive Score of Compounds from Encephalartos ferox
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DOI: 10.5530/pj.2020.12.187
Abstract: Infectious diseases continue to devastate the developing world by presenting high mortality and morbidity rates annually.1 Medicinal plants are the predominant sources of natural lead compounds used in drug discoveries and developments to combat the… read more here.
Keywords: score compounds; computational evaluation; admet properties; evaluation admet ... See more keywords