Ebook: Soft Computing Approaches in Chemistry
- Tags: Complexity, Theoretical and Computational Chemistry, Systems Theory Control, Vibration Dynamical Systems Control
- Series: Studies in Fuzziness and Soft Computing 120
- Year: 2003
- Publisher: Springer-Verlag Berlin Heidelberg
- Edition: 1
- Language: English
- pdf
This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of Mössbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.
This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of M?ssbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.
This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of M?ssbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.
Content:
Front Matter....Pages i-x
Application of Evolutionary Algorithms to Combinatorial Library Design....Pages 1-30
Clustering of Large Data Sets in the Life Sciences....Pages 31-49
Application of a Genetic Algorithm to the refinement of complex M?ssbauer spectra....Pages 51-66
Soft Computing, Molecular Orbital, and Density Functional Theory in the Design of Safe Chemicals....Pages 67-93
Fuzzy logic and fuzzy classification techniques....Pages 95-134
Application of Artificial Neural Networks, Fuzzy Neural Networks, and Genetic Algorithms to Biochemical Engineering....Pages 135-159
Genetic Algorithms for the Geometry Optimization of Clusters and Nanoparticles....Pages 161-204
Real-time Monitoring of Environmental Pollutants in the Workplace Using Neural Networks and FTIR Spectroscopy....Pages 205-236
Genetic Algorithm Evolution of Fuzzy Production Rules for the On-line Control of Phenol-Formaldehyde Resin Plants....Pages 237-264
A Novel Approach to QSPR/QSAR Based on Neural Networks for Structures....Pages 265-296
Hybrid modeling of kinetics for methanol synthesis....Pages 297-315
Back Matter....Pages 317-320
This book brings together original work from a number of authors who have made significant contributions to the evolution and use of nonstandard computing methods in chemistry and pharmaceutical industry. The contributions to this book cover a wide range of applications of Soft Computing to the chemical domain. Soft Computing applications are able to approximate many different kinds of real-world systems; to tolerate imprecision, partial truth, and uncertainty; and to learn from their environment and generate solutions of low cost, high robustness, and tractability. Presented applications are the optimization of the structure of atom clusters, the design of safe textile materials, real-time monitoring of pollutants in the workplace, quantitative structure-activity relationships, the analysis of M?ssbauer spectra, the synthesis of methanol or the use of bioinformatics in the clustering of data within large biochemical databases. With this diverse range of applications, the book appeals to professionals, researchers and developers of software tools for the design of Soft Computing-based systems in chemistry and pharmaceutical industry, and to many others within the computational intelligence community.
Content:
Front Matter....Pages i-x
Application of Evolutionary Algorithms to Combinatorial Library Design....Pages 1-30
Clustering of Large Data Sets in the Life Sciences....Pages 31-49
Application of a Genetic Algorithm to the refinement of complex M?ssbauer spectra....Pages 51-66
Soft Computing, Molecular Orbital, and Density Functional Theory in the Design of Safe Chemicals....Pages 67-93
Fuzzy logic and fuzzy classification techniques....Pages 95-134
Application of Artificial Neural Networks, Fuzzy Neural Networks, and Genetic Algorithms to Biochemical Engineering....Pages 135-159
Genetic Algorithms for the Geometry Optimization of Clusters and Nanoparticles....Pages 161-204
Real-time Monitoring of Environmental Pollutants in the Workplace Using Neural Networks and FTIR Spectroscopy....Pages 205-236
Genetic Algorithm Evolution of Fuzzy Production Rules for the On-line Control of Phenol-Formaldehyde Resin Plants....Pages 237-264
A Novel Approach to QSPR/QSAR Based on Neural Networks for Structures....Pages 265-296
Hybrid modeling of kinetics for methanol synthesis....Pages 297-315
Back Matter....Pages 317-320
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