The flavor is the focal point in the flavor industry, which follows social tendencies and behaviors. The research and development of new flavoring agents and molecules are essential in this field. On the other hand, the development of natural flavors plays a critical role in modern society. In light of this, the present work proposes a novel framework based on Scientific Machine Learning to undertake an emerging problem in flavor engineering and industry. Therefore, this work brings an innovative methodology to design new natural flavor molecules. The molecules are evaluated regarding the synthetic accessibility, the number of atoms, and the likeness to a natural or pseudo-natural product.
翻译:调味品是调味品产业的焦点,它遵循社会倾向和行为,研究和开发新的调味剂和分子在这一领域至关重要。另一方面,自然调味品的发展在现代社会中发挥着关键作用。有鉴于此,目前的工作提出一个以科学机器学习为基础的新框架,用以应对调味品工程和工业中新出现的问题。因此,这项工作为设计新的自然调味分子提供了创新方法。对分子进行了合成可及性、原子数量和天然或假天然产品的相似性方面的评估。