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公开(公告)号:US11783920B2
公开(公告)日:2023-10-10
申请号:US16783824
申请日:2020-02-06
Applicant: Tata Consultancy Services Limited
Inventor: Anukrati Goel , Kishore Gajula , Rakesh Gupta , Beena Rai
Abstract: A processor implemented method of evaluating at least one potential tastant from a plurality of tastants is provided. The processor implemented method includes at least one of: receiving, information associated with a plurality of molecular activities; generating, a plurality of data-based models based on the known taste index associated with at least one tastant and information from associated molecular structure/descriptors; classifying, a new molecule based on the generated data-based models for the at least one tastant; screening, the one or more classified new molecules in an applicability domain of the generated data-based models based on the physics-based models by at least one molecular modeling technique; and evaluating, the at least one potential tastant from the screened molecules based on at least one of a bioavailability and a toxicity. In an embodiment, the plurality of molecular activities corresponds to a taste index and a binding energy.