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Description
The explosion in the generation of information parallels the explosion of computational resources. The use of computers to collect, store and manipulate chemical information is at the heart of chemoinformatics. These methodologies, whose main target thus far has been the pharmaceutical field, are general and can be applied to other types of chemical data sets, such as those containing food chemicals. While the use of chemical information methodologies to address food-related challenges is still in its infancy, interest is growing and will continue to do so as the methods prove useful, particularly for providing practical solutions to food industry challenges. Foodinformatics gives an overview of basic concepts, applications, tools and perspectives of the emerging field of foodinformatics. The book is an important addition to the literature and will be of interest of food chemists, nutritionists, informaticians and scientists of related fields. About the Editors Karina Martínez-Mayorga, Instituto de Química, UNAM, Mexico City, México and Torrey Pines Institute for Molecular Studies, Port St. Lucie, FL, USA José Luis Medina-Franco, Instituto de Química, UNAM, México City, México, and Torrey Pines Institute for Molecular Studies, Port St. Lucie, FL, USA
Table of Contents
1. Introduction to Molecular Similarity and Chemical Space.- 2. The Chemical Space of Flavors.- 3. Chemoinformatics Analysis and Structural Similarity Studies of Food-Related Databases.- 4. Reverse Pharmacognosy: A Tool to Accelerate the Discovery of New Bioactive Food Ingredients.- 5. Molecular Approaches to Explore Natural and Food-Compound Modulators in Cancer Epigenetics and Metabolism.- 6. Discovery of natural products that modulate the activity of PPARgamma: a source for new antidiabetics.- 7. DPP-IV, An Important Target for Anti-diabetic Functional Food Design.-8. Comparison of Different Data Analysis Tools to Study the Effect of Storage Conditions on Wine Sensory Attributes and Trace Metal Composition.- 9. Software and Online Resources: Perspectives and Potential Applications.
