Methodologies and Applications for Chemoinformatics and Chemical Engineering

• #1. Application of Molecular Topology to the Prediction of Water Quality Indices of Alkylphenol Pollutants
• #2. Graph-Theoretical Indices based on Simple, General and Complete Graphs
• #3. Modeling of Fluid Interaction Produced by Water Hammer
• #4. Logistic vs. W-Lambert Information in Quantum Modeling of Enzyme Kinetics
• #5. Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR)
• #6. A Hybrid Approach Based on Self-Organizing Neural Networks and the K-Nearest Neighbors Method to Study Molecular Similarity
• #7. Solvent Effect of Oxygen in the Thermolisys Decomposition of the Acetone Diperoxide
• #8. Characterization of Polycyclic Aromatic Hydrocarbon Profiles by Multivariate Statistical Analysis
• #9. Using Chemical Structural Indicators for Periodic Classification of Local Anaesthetics
• #10. Exploring the Thermodynamic Aspects of Structure Formation During Wet-Spinning of Polyacrylonitrile Fibres
• #11. Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors
• #12. Hydrogen-Bonded Interactions in the Systems L-Cysteine - H2SeO3 and L-Cysteine -H2SeO4: A DFT Study
• #13. Theoretical Studies on the Structure and Spectroscopic Properties of 2,4-D (2,4-Diclorofenoxiacetic Acid)
• #14. Experimental-Theoretical Method for Defining Physical-Mechanical Properties of Polymer Materials with Regard to Change of Their Physical-Chemical Properties
• #15. Two-D Analysis of the Thermo-Mechanical Properties of ZrO2-Based Composites
• #16. Wavy Motion of Viscous Bubbly Liquid in Tubes of Orthotropic Material
• #17. Bundlet Model for Single-Wall Carbon Nanotubes, Nanocones and Nanohorns
• #18. An Efficient Algorithm for Automating Classification of Chemical Reactions into Classes in Ugi’s Reaction Scheme
• #19. Modelling Liquid Flow Through Carbon Nanotubes
• #20. Interactions Between Weighting Scheme and Similarity Coefficient in Similarity-Based Virtual Screening
• #21. 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

A. K. Haghi holds a BSc in urban and environmental engineering from the University of North Carolina (USA); a MSc in mechanical engineering from North Carolina A&T State University (USA); a DEA in applied mechanics, acoustics and materials from Université de Technologie de Compiègne (France); and a PhD in engineering sciences from Université de Franche-Comté (France). He is the author and editor of 165 books as well as 1000 published papers in various journals and conference proceedings. Dr. Haghi has received several grants, consulted for a number of major corporations, and is a frequent speaker to national and international audiences. Since 1983, he served as a professor at several universities. He is currently Editor-in-Chief of Polymers Research Journal and on the editorial boards of many international journals. He is also a faculty member of University of Guilan (Iran) and a member of the Canadian Research and Development Center of Sciences and Cultures (CRDCSC), Montreal, Canada.