Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem

Gebreslassie, Berhane H.; Diwekar, Urmila M.

doi:10.1016/j.compchemeng.2015.04.004

Title: Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem

Authors:: Gebreslassie, Berhane H.; Diwekar, Urmila M.

Publication Date:: Wed Jul 01 00:00:00 EDT 2015

Sponsoring Org.:: USDOE

OSTI Identifier:: 1245252

Grant/Contract Number:: DEFE0012451

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Computers and Chemical Engineering

Additional Journal Information:: Journal Name: Computers and Chemical Engineering Journal Volume: 78 Journal Issue: C; Journal ID: ISSN 0098-1354

Publisher:: Elsevier

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Gebreslassie, Berhane H., and Diwekar, Urmila M. Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem.  United Kingdom: N. p., 2015. 
Web.  doi:10.1016/j.compchemeng.2015.04.004.

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                    Gebreslassie, Berhane H., & Diwekar, Urmila M. Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem.  United Kingdom.  https://doi.org/10.1016/j.compchemeng.2015.04.004

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                    Gebreslassie, Berhane H., and Diwekar, Urmila M. Wed .  
"Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem".  United Kingdom.  https://doi.org/10.1016/j.compchemeng.2015.04.004.

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@article{osti_1245252,

  title        = {Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem},

  author       = {Gebreslassie, Berhane H. and Diwekar, Urmila M.},

  abstractNote = {},

  doi          = {10.1016/j.compchemeng.2015.04.004},

  journal      = {Computers and Chemical Engineering},

  number       = C,

  volume       = 78,

  place        = {United Kingdom},

  year         = {Wed Jul 01 00:00:00 EDT 2015},

  month        = {Wed Jul 01 00:00:00 EDT 2015}

}

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Title: Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem

Citation Formats

Biorefining: Computer aided tools for sustainable design and analysis of bioethanol production journal, September 2009

Vapor-liquid equilibria by UNIFAC group contribution. 5. Revision and extension journal, October 1991

Efficient sampling technique for optimization under uncertainty journal, February 1997

Computer-Aided Molecular Design to Select Foaming Agents Using a Neural Network Method journal, August 2008

A computer-aided molecular design framework for crystallization solvent design journal, February 2006

Optimal biocompatible solvent design for a two-stage extractive fermentation process with cell recycling journal, July 2008

A multi-step and multi-level approach for computer aided molecular design journal, July 2000

A systematic visual approach to molecular design via property clusters and group contribution methods journal, December 2008

Efficient Combinatorial Optimization under Uncertainty. 2. Application to Stochastic Solvent Selection journal, March 2002

Estimation of Pure-Component Properties from Group-Contributions journal, July 1987

Optimization-based framework for computer-aided molecular design journal, April 2013

A unified ant colony optimization algorithm for continuous optimization journal, May 2014

Optimal solvent design for batch separation based on economic performance journal, December 2003

A New Decomposition-Based Computer-Aided Molecular/Mixture Design Methodology for the Design of Optimal Solvents and Solvent Mixtures journal, June 2005

A model-based systems approach to pharmaceutical product-process design and analysis journal, November 2010

On the solution of mixed-integer nonlinear programming models for computer aided molecular design journal, November 2002

Design of environmentally benign processes: integration of solvent design and separation process synthesis journal, December 1999

Application of two ant colony optimisation algorithms to water distribution system optimisation journal, September 2006

Group-contribution based estimation of pure component properties journal, July 2001

Efficient Combinatorial Optimization under Uncertainty. 1. Algorithmic Development journal, March 2002

Simultaneous Process and Molecular Design through Property Clustering Techniques: A Visualization Tool journal, May 2007

Experiences in Designing Solvents for the Environment journal, November 2002

Computer-aided molecular design with combined molecular modeling and group contribution journal, June 1999

An ant colony optimization algorithm for continuous optimization: application to feed-forward neural network training journal, March 2007

Improved Genetic Algorithms for Deterministic Optimization and Optimization under Uncertainty. Part II. Solvent Selection under Uncertainty journal, August 2005

Ant colony optimization for continuous domains journal, March 2008

A numerical study of MIDACO on 100 MINLP benchmarks journal, July 2012

Design for environment: a state-of-the-art review journal, September 2010

Improved Genetic Algorithms for Deterministic Optimization and Optimization under Uncertainty. Part I. Algorithms Development journal, August 2005

The oracle penalty method journal, October 2009

ACO for Continuous and Mixed-Variable Optimization book, January 2004

Interval Global Optimization in Solvent Design journal, January 2003

Optimization by Simulated Annealing journal, May 1983

A novel algorithm for molecular synthesis using enhanced property operators journal, March 2009

Computer aided molecular design: a novel method for optimal solvent selection journal, February 1993

Computer-aided polymer design using group contribution plus property models journal, May 2009

Biorefining: Computer aided tools for sustainable design and analysis of bioethanol production
journal, September 2009

Vapor-liquid equilibria by UNIFAC group contribution. 5. Revision and extension
journal, October 1991

Efficient sampling technique for optimization under uncertainty
journal, February 1997

Computer-Aided Molecular Design to Select Foaming Agents Using a Neural Network Method
journal, August 2008

A computer-aided molecular design framework for crystallization solvent design
journal, February 2006

Optimal biocompatible solvent design for a two-stage extractive fermentation process with cell recycling
journal, July 2008

A multi-step and multi-level approach for computer aided molecular design
journal, July 2000

A systematic visual approach to molecular design via property clusters and group contribution methods
journal, December 2008

Efficient Combinatorial Optimization under Uncertainty. 2. Application to Stochastic Solvent Selection
journal, March 2002

Estimation of Pure-Component Properties from Group-Contributions
journal, July 1987

Optimization-based framework for computer-aided molecular design
journal, April 2013

A unified ant colony optimization algorithm for continuous optimization
journal, May 2014

Optimal solvent design for batch separation based on economic performance
journal, December 2003

A New Decomposition-Based Computer-Aided Molecular/Mixture Design Methodology for the Design of Optimal Solvents and Solvent Mixtures
journal, June 2005

A model-based systems approach to pharmaceutical product-process design and analysis
journal, November 2010

On the solution of mixed-integer nonlinear programming models for computer aided molecular design
journal, November 2002

Design of environmentally benign processes: integration of solvent design and separation process synthesis
journal, December 1999

Application of two ant colony optimisation algorithms to water distribution system optimisation
journal, September 2006

Group-contribution based estimation of pure component properties
journal, July 2001

Efficient Combinatorial Optimization under Uncertainty. 1. Algorithmic Development
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Simultaneous Process and Molecular Design through Property Clustering Techniques: A Visualization Tool
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Experiences in Designing Solvents for the Environment
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Computer-aided molecular design with combined molecular modeling and group contribution
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An ant colony optimization algorithm for continuous optimization: application to feed-forward neural network training
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Improved Genetic Algorithms for Deterministic Optimization and Optimization under Uncertainty. Part II. Solvent Selection under Uncertainty
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A numerical study of MIDACO on 100 MINLP benchmarks
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Design for environment: a state-of-the-art review
journal, September 2010

Improved Genetic Algorithms for Deterministic Optimization and Optimization under Uncertainty. Part I. Algorithms Development
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The oracle penalty method
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