Search Result "2D-descriptors"


Research Article

A Multi-layered Variable Selection Strategy for QSAR Modeling of Butyrylcholinesterase Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1601-1627
Author(s): Vinay Kumar,Priyanka De,Probir Kumar Ojha,Achintya Saha,Kunal Roy

Research Article

In silico and in vitro Studies of Imidazolium Ionic Liquids as Effective Antibacterial Agents against Multidrug Resistant Escherichia coli Strains

Journal: Current Bioactive Compounds
Volume: 16 Issue: 0 Year: 2020 Page: 1-15
Author(s): Diana Hodyna,Vasyl Kovalishyn,Ivan Semenyuta,Volodymyr Blagodatny,Sergiy Rogalsky,Larysa Metelytsia

Research Article

Combined QSAR Model and Chemical Similarity Search for Novel HMG-CoA Reductase Inhibitors for Coronary Heart Disease

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 4 Year: 2020 Page: 473-485
Author(s): David Mary Rajathei,Subbiah Parthasarathy,Samuel Selvaraj

Research Article

Dapsone is not a Pharmacodynamic Lead Compound for its Aryl Derivatives

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 3 Year: 2020 Page: 327-339
Author(s): Thomas Scior,Hassan H. Abdallah,Kenia Salvador-Atonal,Stefan Laufer

Research Article

Molecular Modeling Studies of Anti-Alzheimer Agents by QSAR, Molecular Docking and Molecular Dynamics Simulations Techniques

Journal: Medicinal Chemistry
Volume: 16 Issue: 7 Year: 2020 Page: 903-927
Author(s): Rahman Abdizadeh,Farzin Hadizadeh,Tooba Abdizadeh

Research Article

Investigation on Quantitative Structure-Activity Relationships of 1,3,4-Oxadiazole Derivatives as Potential Telomerase Inhibitors

Journal: Current Drug Discovery Technologies
Volume: 17 Issue: 1 Year: 2020 Page: 79-86
Author(s): Marco Tutone,Beatrice Pecoraro,Anna M. Almerico

Editorial free to download

Medicinal Chemistry and Computational Chemistry: Mutual Influence and Harmonization

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1320-1321
Author(s): Alla P. Toropov

Research Article

In Silico Investigation: Opening Doors to Novel Thymidylate Synthase Inhibitors

Journal: Current Enzyme Inhibition
Volume: 16 Issue: 3 Year: 2020 Page: 224-237
Author(s): Sheenu Mittal,Ankit Gupta,Monika,Richa,Renu Chadha,Neelima Dhingra

Review Article

Advanced in Silico Methods for the Development of Anti- Leishmaniasis and Anti-Trypanosomiasis Agents

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 5 Year: 2020 Page: 697-718
Author(s): Amit Kumar Halder,M. Natália Dias Soeiro Cordeiro

Research Article

Computer-aided Drug Design Investigations for Benzothiazinone Derivatives Against Tuberculosis

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 1 Year: 2020 Page: 66-82
Author(s): Jéssika O. Viana,Marcus T. Scotti,Luciana Scotti

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