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...

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Detaylı Bibliyografya
Asıl Yazarlar: Khaoula Mkhayar, Ossama Daoui, Rachid Haloui, Souad Elkhattabi, Samir Chtita
Materyal Türü: Makale
Dil:English
Baskı/Yayın Bilgisi: MDPI AG 2022-11-01
Seri Bilgileri:Medical Sciences Forum
Konular:
Online Erişim:https://www.mdpi.com/2673-9992/14/1/106