Foodinformatics

1. Front Matter

   Pages i-xii

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2. Introduction to Molecular Similarity and Chemical Space

   • Gerald M. Maggiora

   Pages 1-81

3. The Chemical Space of Flavours

   • Lars Ruddigkeit, Jean-Louis Reymond

   Pages 83-96

4. Chemoinformatics Analysis and Structural Similarity Studies of Food-Related Databases

   • Karina Martinez-Mayorga, Terry L. Peppard, Ariadna I. Ramírez-Hernández, Diana E. Terrazas-Álvarez, José L. Medina-Franco

   Pages 97-110

5. Reverse Pharmacognosy: A Tool to Accelerate the Discovery of New Bioactive Food Ingredients

   • Quoc Tuan Do, Maureen Driscoll, Angela Slitt, Navindra Seeram, Terry L. Peppard, Philippe Bernard

   Pages 111-130

6. Molecular Approaches to Explore Natural and Food-Compound Modulators in Cancer Epigenetics and Metabolism

   • Alberto Del Rio, Fernando B. Da Costa

   Pages 131-149

7. Discovery of Natural Products that Modulate the Activity of PPARgamma: A Source for New Antidiabetics

   • Santiago Garcia-Vallve, Laura Guasch, Miquel Mulero

   Pages 151-176

8. DPP-IV, An Important Target for Antidiabetic Functional Food Design

   • María José Ojeda, Adrià Cereto-Massagué, Cristina Valls, Gerard Pujadas, Gerard Pujadas

   Pages 177-212

9. Comparison of Different Data Analysis Tools to Study the Effect of Storage Conditions on Wine Sensory Attributes and Trace Metal Composition

   • Helene Hopfer, Susan E. Ebeler, Hildegarde Heymann

   Pages 213-231

10. Software and Online Resources: Perspectives and Potential Applications

    • Karina Martinez-Mayorga, Terry L. Peppard, José L. Medina-Franco

    Pages 233-248

11. Back Matter

    Pages 249-251

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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

• Chemical information
• Chemical space
• Flavor chemistry
• Foodinformatics
• Pharmacognosy
• Similarity search

• Universidad Nacional Autónoma de México Instituto de Química, Mexico City, Mexico

  Karina Martinez-Mayorga, José Luis Medina-Franco

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 Instiute for Molecualr Studies, Port St. Lucie, FL, USA

José Luis Medina-Franco, Instituto de Química, UNAM, Mexico City, México, and Torrey Pines Instiute for Molecualr Studies, Port St. Lucie, FL, USA