Insight into the Structure–Odor Relationship of Molecules: A Computational Study Based on Deep Learning

Insight into the Structure–Odor Relationship of Molecules: A Computational Study Based on Deep Learning

Molecules with pleasant odors, unacceptable odors, and even serious toxicity are closely related to human social life. It is impractical to identify the odors of molecules in large quantities (particularly hazardous odors) using experimental methods. Computer-aided methods have currently attracted i...

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Bibliographic Details
Main Authors: Weichen Bo, Yuandong Yu, Ran He, Dongya Qin, Xin Zheng, Yue Wang, Botian Ding, Guizhao Liang
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Foods
Subjects:
odor prediction
hazardous molecules
multilayer perceptron (MLP)
convolutional neural network (CNN)
Online Access:https://www.mdpi.com/2304-8158/11/14/2033

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https://www.mdpi.com/2304-8158/11/14/2033

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