• Prediction of Anti-Inflammatory Activity of a Series of Pyrimidine Derivatives, by Multiple Linear Regression and Artificial Neural Networks ()
  Yafigui Traoré, Jean Missa Ehouman, Mamadou Guy-Richard Koné, Donourou Diabaté, Nahossé Ziao
  Computational Chemistry Vol.10 No.4,  October 28, 2022
  DOI: 10.4236/cc.2022.104009  232 Downloads   866 Views   Citations
  This article belongs to the Special Issue on

• Vibrational Spectroscopic Investigations, Electronic Properties, Molecular Structure and Quantum Mechanical Study of an Antifolate Drug: Pyrimethamine ()
  Pélagie Manwal A Mekoung, Bel Youssouf G. Mountessou, Maraf B. Mbah, Martin Signe, Auguste Abouem A Zintchem, Charles P. N. Nanseu, Ibrahim N. Mbouombouo
  Computational Chemistry Vol.10 No.4,  September 9, 2022
  DOI: 10.4236/cc.2022.104008  262 Downloads   1,280 Views   Citations
  This article belongs to the Special Issue on

• Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1] ()
  Bamba El Hadji Sawaliho, N’Guessan Boka Robert
  Computational Chemistry Vol.10 No.4,  August 31, 2022
  DOI: 10.4236/cc.2022.104007  238 Downloads   913 Views   Citations
  This article belongs to the Special Issue on

• A Statistical Evaluation of Uncoupling Protein 1 in the Limited Area of Brown Adipose Tissue by Immunoelectron Microscopy ()
  Xiaomin Dong, Seiichi Chiba, Tatsuo Shimada, Fumihiko Hamada
  Computational Chemistry Vol.10 No.3,  July 29, 2022
  DOI: 10.4236/cc.2022.103006  200 Downloads   1,003 Views   Citations
  This article belongs to the Special Issue on

• The Oryzenin’s Effect on Di, Tri and Quadri-Saccharide Degradation. An Investigation by a Mixed Method: ONIOM (DFT/B3LYP/6 - 31 + G(d, p): AM1) ()
  N’guessan Boka Robert, Bamba El Hadji Sawaliho, Koffi Kouassi Alain
  Computational Chemistry Vol.10 No.2,  April 29, 2022
  DOI: 10.4236/cc.2022.102005  292 Downloads   1,013 Views   Citations
  This article belongs to the Special Issue on

• Quantitative Structure-Activity Relationship Study of a Benzimidazole-Derived Series Inhibiting Mycobacterium tuberculosis H37Rv ()
  Georges Stéphane Dembélé, Mamadou Guy-Richard Koné, Fandia Konate, Doh Soro, Nahossé Ziao
  Computational Chemistry Vol.10 No.2,  April 12, 2022
  DOI: 10.4236/cc.2022.102004  258 Downloads   1,213 Views   Citations
  This article belongs to the Special Issue on

• Catechin and Epicatechin. What’s the More Reactive? ()
  Essoh Akpa Eugène, N’guessan Boka Robert, Adenidji Ganiyou, Yapo Kicho Denis, Adjou Ané, Bamba El Hadji Sawaliho
  Computational Chemistry Vol.10 No.2,  March 11, 2022
  DOI: 10.4236/cc.2022.102003  491 Downloads   3,063 Views   Citations
  This article belongs to the Special Issue on

• In Silico Docking of Rhodanine Derivatives and 3D-QSAR Study to Identify Potent Prostate Cancer Inhibitors ()
  Koffi Alexis Respect Kouassi, Adenidji Ganiyou, Diomande Gbe Gondo Didier, Anoubilé Benié, Ziao Nahossé
  Computational Chemistry Vol.10 No.2,  February 18, 2022
  DOI: 10.4236/cc.2022.102002  326 Downloads   1,591 Views   Citations
  This article belongs to the Special Issue on

• Comparison of Molecular Properties (Stabilities, Reactivity and Interaction) of Manzamenones and Two Antimalarial Drugs (Quinine and Artemisinin) Using Mixed Method Calculations (ONIOM) and DFT (B3LYP) ()
  Atse Adepo Jacques, Kone Soleymane, Diomande Sékou, Bamba El-Hadji Sawaliho
  Computational Chemistry Vol.10 No.1,  January 27, 2022
  DOI: 10.4236/cc.2022.101001  295 Downloads   1,147 Views   Citations
  This article belongs to the Special Issue on

• A Quantum Chemical Screening of Two Imidazole-Chalcone Hybrid Ligands and Their Pd, Pt and Zn Complexes for Charge Transport and Nonlinear Optical (NLO) Properties: A DFT Study ()
  Fritzgerald Kogge Bine, Numbonui Stanley Tasheh, Julius Numbonui Ghogomu
  Computational Chemistry Vol.9 No.4,  October 19, 2021
  DOI: 10.4236/cc.2021.94012  348 Downloads   1,166 Views   Citations
  This article belongs to the Special Issue on