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Title
| - Design of Virtual Libraries of Umami-Tasting Molecules
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Abstract
| - The introduction of molecular tools in food research offers the possibility to the food industry to benefitfrom the experience gained in the field by pharmaceutical companies. In this work we are showing how insilico virtual screening techniques based on molecular similarity were applied for identifying novel umami-tasting compounds. The results obtained suggest that 5‘-ribonucleotides and monosodium glutamate mightelicit the fifth basic taste via the same molecular mechanism. New algorithms were developed and used inthis work, such as the dimension reduction of data sets by singular value decomposition and the introductionof the correlation dimension as a natural dimension of a chemical space. It is shown that the representationsof molecular data sets in chemical spaces possess self-similar properties, characteristic of fractal objects.
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