Atom-Driven and Knowledge-Based Hydrolysis Metabolite Assessment for Environmental Organic Chemicals

Atom-Driven and Knowledge-Based Hydrolysis Metabolite Assessment for Environmental Organic Chemicals

The metabolism of environmental organic chemicals often relies on the catalytic action of specific enzymes at the nanoscale, which is critical for assessing their environmental impact, safety, and efficacy. Hydrolysis is one of the primary metabolic and degradation reaction pathways. Traditionally,...

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Bibliographic Details
Main Authors: Zhe Liu, Yufan Lin, Qi He, Lingjie Dai, Qinyan Tan, Binyan Jin, Philip W. Lee, Xiaoming Zhang, Li Zhang
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molecules
Subjects:
machine learning
expert system
metabolite evaluation
hydrolysis sites
hydrolysis products
Online Access:https://www.mdpi.com/1420-3049/30/2/234
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