CiteScore: 4.9     h-index: 21

In-silico Design of Oxadiazole Hybrids as Potential Inhibitors of Dengue Virus NS2B-NS3 Protease
In-silico Design of Oxadiazole Hybrids as Potential Inhibitors of Dengue Virus NS2B-NS3 Protease

Samuel Ndaghiya Adawara; Gideon Shallangwa Adamu; Paul Andrew Mamza; Ibrahim Abdulkadir

Volume 5, Issue 2 , April 2022, , Pages 118-137

https://doi.org/10.22034/ajca.2022.320210.1291

Abstract
  This study aimed at designing highly potent dengue virus (DENV) inhibitors targeting the NS2B-NS3 protease from 1,2-benzisothiazol-3(2H)-one-1,3,4-oxadiazole (BTZO) hybrid through quantitative-structure-activity ...  Read More
Kernelled Naive Bayes Using a Balanced Dataset for Accurate Classification of the Material Toxicity
Kernelled Naive Bayes Using a Balanced Dataset for Accurate Classification of the Material Toxicity

Ali Ekramipooya; Davood Rashtchian; Mehrdad Boroushaki

Volume 4, Issue 2 , March and April 2021, , Pages 138-151

https://doi.org/10.22034/ajca.2021.274570.1244

Abstract
  In this work, a new multi-class classification approach was employed in the QSAR model to assess chemical toxicity prediction through handling the imbalanced dataset as the critical ...  Read More
The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study
The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study

Mohammad Jahidul Islam; Ajoy Kumer; Nuruzzaman Sarker; Sunanda Paul; Afroza Zannat

Volume 2, Issue 4 , September 2019, , Pages 316-326

https://doi.org/10.33945/SAMI/AJCA.2019.4.5

Abstract
  As the morpholine and morphine have been used all over the world as pain killer drugs even used in cancer treatment, so the morpholine is more demanding chemical molecule. In our work, ...  Read More
The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry
The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry

Ajoy Kumer; Nuruzzaman Sarker; Sunanda Paul; Afroza Zannat

Volume 2, Issue 3 , July 2019, , Pages 190-202

https://doi.org/10.33945/SAMI/AJCA.2019.2.190202

Abstract
  Some thermophysical parameters of CBD and THC such as free energy, entropy, dipole moment, binding energy, nuclear energy, electronics energy, heat of formation, and chemical reactivity ...  Read More