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Chemoinformatics

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A Mathematical Model to Control the Liquid-Liquid Equilibrium Data
Acetic Acid
activity
Activity Coefficient
ANNs Model
artificial neural networks
Average RMSD
Binary Interaction Parameters
calculated
Calculated Mole Fractions
Category=PNR
chemical data analysis
coefficient
Control of Liquid Membrane Separation Process
data
Data Set
Densities And Refractive Indices of the Binary Systems
eq_bestseller
eq_isMigrated=1
eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
equilibrium
Excess Molar Volumes
fluid phase equilibria
fraction
GMDH Algorithm
GMDH Model
GMDH Type NN
Hidden Layer
liquid-liquid
LLE Data
mole
Mole Fraction
molecular simulation
Optimized Transfer Functions
Organic Rich Phase
Practical Hints on Optimization of Uniquac Interaction Parameters
process optimization
Some Aspects of a Fluid Phase Equilibria and Unifac Model
Stripping Phase
systems
ternary
Ternary System
Ternary System Water
thermodynamic modeling
UNIFAC Model
UNIQUAC
UNIQUAC Model
Vapor Liquid Equilibrium Data
vapor liquid equilibrium modeling
VLE

Product details

  • ISBN 9781774632109
  • Weight: 453g
  • Dimensions: 156 x 234mm
  • Publication Date: 31 Mar 2021
  • Publisher: Apple Academic Press Inc.
  • Publication City/Country: CA
  • Product Form: Paperback
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Description

Chemoinformatics: Advanced Control and Computational Techniques provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques and examination of the application techniques in the industy are presented, along with current practices and current research. The book also provides practical experience of commercially available systems and includes small-scale chemoinformatics-related projects.

The book offers scope for academics, researchers, and engineering professionals. Chapters range from new methods to novel applications of existing methods and help provide an understanding of the material and/or structural behavior of new and advanced systems. It includes innovative chapters on the growth of educational, scientific, and industrial research activities among chemical engineers. It provides the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.
About

Dr. Hossein G. Gilani received his MSc in Chemical Engineering from Bologna University, Italy, in 1982, and his PhD degree in Chemical Engineering from the University of Catalunya, BarcelonaTech (UPC), Spain, in 1992. He is currently an associate professor in the Department of Chemical Engineering. He has served as the Head of Chemical Engineering Department as well as Vice-Dean of Faculty of Engineering in Research.

He is a reviewer for several international journals and a member of the editorial boards of several journals. He has published more than 48 papers in various international research journals and is currently actively engaged in research areas of separation processes using distillation and extraction liquid-liquid, membranes and adsorption, process development, cryogenics, and gas liquefaction processes.

Katia G. Samper is a chemical engineer and is currently in the postgraduate program of chemical systems at the University of Barcelona, Spain.

Reza Khodaparast Haghi is a mechanical engineer and is currently in the postgraduate program of Advanced Control Systems at University of Salford, Manchester, (UK).