International Journal of Chemoinformatics and Chemical Engineering (IJCCE)

2011 - 2019

Current editor(s): Rama Rao Karri

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An Efficient Algorithm for Automating Classification of Chemical Reactions into Classes in Ugi’s Reaction Scheme pp. 1-14: Sanjay Ram and Somnath Pal
Modelling Liquid Flow Through Carbon Nanotubes pp. 15-27: Faig Bakhman Ogli Naghiyev
Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening pp. 28-41: John D. Holliday, Peter Willett and Hua Xiang
Retrained Classification of Tyrosinase Inhibitors and “In Silico” Potency Estimation by Using Atom-Type Linear Indices: A Powerful Tool for Speed up the Discovery of Leads pp. 42-144: Gerardo M. Casañola-Martín, Mahmud Tareq Hassan Khan, Huong Le-Thi-Thu, Yovani Marrero-Ponce, Ramón García-Domenech, Francisco Torrens and Antonio Rescigno

Theoretical Studies on the Structure and Spectroscopic Properties of 2,4-D (2,4-Diclorofenoxiacetic Acid) pp. 1-11: María G. Andino, Mariela I. Profeta, Jorge M. Romero, Nelly L. Jorge and Eduardo A. Castro
Experimental-Theoretical Method for Defining Physical-Mechanical Properties of Polymer Materials with Regard to Change of Their Physical-Chemical Properties pp. 12-24: Gabil G. Aliyev
Two-D Analysis of the Thermo-Mechanical Properties of ZrO2-Based Composites pp. 25-38: Sedigheh Salehi, Vasyl Ryukhtin, Petr Lukas, Omer Van der Biest and Jef Vleugels
Wavy Motion of Viscous Bubbly Liquid in Tubes of Orthotropic Material pp. 39-47: Rafael Yusif Amenzadeh, Akperli Reyhan Sayyad and Faig Bakhman Ogli Naghiyev
Bundlet Model for Single-Wall Carbon Nanotubes, Nanocones and Nanohorns pp. 48-98: Francisco Torrens and Gloria Castellano

Characterization of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical Analysis pp. 1-14: D. J. Marino, E. A. Castro, L. Massolo, A. Mueller, O. Herbarth and A. E. Ronco
Using Chemical Structural Indicators for Periodic Classification of Local Anaesthetics pp. 15-35: Francisco Torrens and Gloria Castellano
Exploring the Thermodynamic Aspects of Structure Formation During Wet-Spinning of Polyacrylonitrile Fibres pp. 36-52: Shahram Arbab, A. Zeinolebadi and Parviz Noorpanah
Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors pp. 53-65: Tanmoy Chakraborty and Dulal C. Ghosh
Hydrogen-Bonded Interactions in the Systems L-Cysteine - H2SeO3 and L-Cysteine -H2SeO4: A DFT Study pp. 66-76: Alexei N. Pankratov, Nikolay A. Bychkov and Olga M. Tsivileva

Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants pp. 1-11: Jorge Gálvez, Miriam Parreño, Jordi Pla, Jaime Sanchez, María Gálvez-Llompart, Sergio Navarro and Ramón García-Domenech
Graph-Theoretical Indices based on Simple, General and Complete Graphs pp. 12-28: Lionello Pogliani
Modeling of Fluid Interaction Produced by Water Hammer pp. 29-41: Kaveh Hariri Asli, Faig Bakhman Ogli Naghiyev, Soltan Ali Ogli Aliyev and Hoosein Hariri Asli
Logistic vs. W-Lambert Information in Quantum Modeling of Enzyme Kinetics pp. 42-60: Mihai V. Putz and Ana-Maria Putz
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR) pp. 61-74: Ashutosh Kumar Gupta, Arindam Chakraborty, Santanab Giri, Venkatesan Subramanian and Pratim Chattaraj
A Hybrid Approach Based on Self-Organizing Neural Networks and the K-Nearest Neighbors Method to Study Molecular Similarity pp. 75-95: Abdelmalek Amine, Zakaria Elberrichi, Michel Simonet and Ali Rahmouni
Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide pp. 96-102: M. I. Profeta, J. R. Romero, L. A. C. Leiva, N. L. Jorge, M. E. Gomez Vara and E. A. Castro