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Search Result "DFT electrophilicity descriptors"

Review Article

Role of Topological, Electronic, Geometrical, Constitutional and Quantum Chemical Based Descriptors in QSAR: mPGES-1 as a Case Study

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1075-1090
Author(s): Ashish Gupta,Virender Kumar,Polamarasetty Aparoy

Research Article

An Improved, Efficient and Microwave Assisted Synthetic Method for the Synthesis of Chalcone Oximes: An Experimental and Computational Study

Journal: Letters in Organic Chemistry
Volume: 15 Issue: 2 Year: 2018 Page: 99-110
Author(s): Taner Erdogan,Fatma Oguz Erdogan

Research Article

Synthesis of New α-Amino Phosphonates Containing 3-Amino-4(3H) Quinazolinone Moiety as Anticancer and Antimicrobial Agents: DFT, NBO, and Vibrational Studies

Journal: Current Organic Synthesis
Volume: 15 Issue: 2 Year: 2018 Page: 286-296
Author(s): Mohamed K. Awad,Mahmoud F. Abdel-Aal,Faten M. Atlam,Hend A. Hekal

Research Article

The Quantum Chemical and QSAR Studies on Acinetobacter Baumannii Oxphos Inhibitors

Journal: Medicinal Chemistry
Volume: 14 Issue: 3 Year: 2018 Page: 253-268
Author(s): Hakan Sezgin Sayiner,Afaf A.S. Abdalrahm,Murat A. Basaran,Vasyl Kovalishyn,Fatma Kandemirli

Research Article

Design, Synthesis and Docking study of Novel Imidazolyl Pyrazolopyridine Derivatives as Antitumor Agents Targeting MCF7 Cell Line

Journal: Current Organic Synthesis
Volume: 15 Issue: 2 Year: 2018 Page: 275-285
Author(s): Mohamed A. El-Borai,Mohamed K. Awad,H.F. Rizk,Faten M. Atlam

Review Article

In Silico Studies in Drug Research Against Neurodegenerative Diseases

Journal: Current Neuropharmacology
Volume: 16 Issue: 6 Year: 2018 Page: 664-725
Author(s): Farahnaz Rezaei Makhouri,Jahan B. Ghasemi

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