Computational approaches for decoding structure-saltiness enhancement and aroma perception mechanisms of odorants: From machine learning to molecular simulation.

• Tác giả: Huizhuo Ji, Jianlei Kong, Dandan Pu, Lijun Su, Wenjing Yan, Qingchuan Zhang, Yuyu Zhang, Min Zuo
• Ngôn ngữ: eng
• Ký hiệu phân loại: 271.6 *Passionists and Redemptorists
• Thông tin xuất bản: Canada : Food research international (Ottawa, Ont.) , 2025
• Bộ sưu tập: NCBI
• ID: 208324

Tóm tắt

The unclear relationship between structure and saltiness enhancement limits the development and application of savory odorants. The structure characteristic-saltiness enhancement perception (SEP) mechanisms of savory odorants were investigated by machine learning, molecular docking, and site-directed mutagenesis simulations. The XGBoost model (R