Design of New Derivatives of Dimedone Molecules Using QSAR and Docking Molecular
In this work, we investigated the quantitative relationship between biological activity against non-small cell lung cancer (NSCLC) and the molecular structure of a series of 38 cyclohexane-1,3-dione-dimidone derivatives. For this purpose, molecular descriptors calculated by DFT-B3LYP/6-31G, topologi...
Asıl Yazarlar: | , , , , |
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Materyal Türü: | Makale |
Dil: | English |
Baskı/Yayın Bilgisi: |
MDPI AG
2022-11-01
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Seri Bilgileri: | Medical Sciences Forum |
Konular: | |
Online Erişim: | https://www.mdpi.com/2673-9992/14/1/106 |