Sweetness prediction of natural compounds

详细信息    查看全文

• 作者：Jean-Baptiste Ché ; ron ; Iuri Casciuc ; Jé ; rô ; me Golebiowski ; Serge Antonczak ; Sé ; bastien Fiorucci ; ^{sebastien.fiorucci@unice.fr}
• 关键词：Sweeteners ; Structure-activity relationship ; Chemical space ; Natural compounds
• 刊名：Food Chemistry
• 出版年：2017
• 出版时间：15 April 2017
• 年：2017
• 卷：221
• 期：Complete
• 页码：1421-1425
• 全文大小：1341 K
• 卷排序：221

文摘

A dataset of 316 sugars and sweeteners has been set up. A fast and accurate QSAR model has been optimized to predict sweetness. More than 325,000 natural compounds have been virtually screened. In silico prediction of novel natural sweeteners.