PART I: GENETIC ALGORITHMS
Chapter 1: Genetic Algorithms and Beyond
Brian T. Luke
SAIC-Frederick, Inc., Advanced Biomedical Computing Center, NCI Frederick, P.O. Box B, Frederick, MD 21702, USA
Chapter 2: Hybrid Genetic Algorithms
D. Brynn Hibbert
School of Chemical Sciences, University of New South Wales, Sydney, NSW2052, Australia
Chapter 3: Robust Soft Sensor Development Using Genetic Programming
Arthur K. Kordona , Guido F. Smits,b Alex N. Kalosa, and Elsa M. Jordaan b
aThe Dow Chemical Company, Freeport, TX 77566, USA
bDow Benelux NV, Terneuzen, The Netherlands
Chapter 4: Genetic Algorithms in Molecular Modeling: a Review
Alessandro Maiocchi
Bracco Imaging S.p.A., Milano Research Center, via E. Folli 50, 20134 Milano, Italy
Chapter 5: MobyDigs: Sofwtare for Regression and Classification Models by Genetic Algorithms.
Roberto Todeschini, Viviana Consonni, Andrea Mauri and Manuela Pavan
Milano Chemometrics and QSAR Research Group, Dept. of Environmental Sciences, P.za della Scienza, 1, 20126 Milano, Italy
Chapter 6: Genetic Algorithm-PLS as a tool for wavelength selection in spectral data sets
Riccardo Leardi
University of Genova, Dept. of Pharmaceutical and Food Chemistry and Technology, via Brigata Salerno (ponte), 16147 Genova, Italy
PART II: ARTIFICIAL NEURAL NETWORKS
Chapter 7: Basics of Artificial Neural Networks
Jure Zupan
Laboratory of Chemometrics, National Institute of Chemistry, Ljubljana, Slovenia
Chapter 8: Artificial Neural Networks in Molecular Structures-Property Studies
Marjana Novic and Marjan Vracko
Laboratory of Chemometrics, National Institute of Chemistry, Ljubljana, Slovenia
Chapter 9: Neural Networks for the Calibration of Voltammetric Data
Conrad Bessant and Edward Richards
Cranfield Centre for Analytical Science, Cranfield University, Silsoe, Bedford MK45 4DT. UK.
Chapter 10: Neural Networks and Genetic Algorithms Applications in Nuclear Magnetic Resonance (NMR) Spectroscopy
Reinhard Meusingera and Uwe Himmelreichb
aTechnical University of Darmstadt, Institute of Organic Chemistry, Petersenstrasse 22, D-64287 Darmstadt, Germany
bUniversity of Sidney, Institute of Magnetic Resonance Research, Blackburn Bldg D06, Sydney, NSW 2006, Australia
Chapter 11: A QSAR Model for Predicting the Acute Toxicity of Pesticides to Gammarids
James Devillers
CTIS, 3 Chemin de la Gravière, 69140 Rillieux La Pape, France
CONCLUSION
Chapter 12: Applying Genetic Algorithms and Neural Networks to Chemometric Problems
Brian T. Luke
SAIC-Frederick, Inc., Advanced Biomedical Computing Center, NCI Frederick, P.O. Box B, Frederick, MD 21702, USA.