期刊文献+

Biological Activity Relationship of Cyclic and Noncyclic Alkanes Using Quantum Molecular Descriptors

Biological Activity Relationship of Cyclic and Noncyclic Alkanes Using Quantum Molecular Descriptors
下载PDF
导出
摘要 A 3-Dimension-Quantitative Structure-Activity Relationship</span></span><span><span><span style="font-family:""> (</span></span></span><span><span><span style="font-family:"">3D-QSAR</span></span></span><span><span><sup><span style="font-family:"">1</span></sup></span></span><span><span><span style="font-family:"">) </span></span></span><span><span><span style="font-family:"">approach is applied for the prediction of accurate chemical</span></span></span><span><span><span style="font-family:""> products made from biological activity and toxicity. Quantum chemical technique allows the construction of the molecular descriptors. The molecular quantum descriptors are classified into five principal component factors. Various linear <span>regression equations are obtained using the statistical technique. In this</span> study, the researchers propose the three best regression equations based on quantum molecular descriptors discussed earlier in this study. The observed EC50 vs calculated EC50 is plotted using the best fitting with the quantum descriptors. A 3-Dimension-Quantitative Structure-Activity Relationship</span></span><span><span><span style="font-family:""> (</span></span></span><span><span><span style="font-family:"">3D-QSAR</span></span></span><span><span><sup><span style="font-family:"">1</span></sup></span></span><span><span><span style="font-family:"">) </span></span></span><span><span><span style="font-family:"">approach is applied for the prediction of accurate chemical</span></span></span><span><span><span style="font-family:""> products made from biological activity and toxicity. Quantum chemical technique allows the construction of the molecular descriptors. The molecular quantum descriptors are classified into five principal component factors. Various linear <span>regression equations are obtained using the statistical technique. In this</span> study, the researchers propose the three best regression equations based on quantum molecular descriptors discussed earlier in this study. The observed EC50 vs calculated EC50 is plotted using the best fitting with the quantum descriptors.
作者 Ahmad Nazib Alias Zubainun Mohamed Zabidi Nurul Aimi Zakaria Zaidatul Salwa Mahmud Rosliza Ali Ahmad Nazib Alias;Zubainun Mohamed Zabidi;Nurul Aimi Zakaria;Zaidatul Salwa Mahmud;Rosliza Ali(Faculty of Applied Sciences, Universiti Teknologi MARA Cawangan Perak, Tapah Road, Malaysia)
出处 《Open Journal of Applied Sciences》 2021年第8期966-984,共19页 应用科学(英文)
关键词 3D-QSAR Quantum Molecular Descriptor Biological Activity TOXICOLOGY 3D-QSAR Quantum Molecular Descriptor Biological Activity Toxicology
  • 相关文献

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部