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Updated: Jan 22, 2026

Antibiotic Dereplication Using the Antibiotic Resistance Platform
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Published on: October 17, 2019

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绘制抗生素光催化转化和耐药性风险与DFT信息机器学习工作流程的映射

Chen-Chen Zhao1, Sihan Xing1, Cheng Fu1

  • 1State Key Laboratory of Coordination Chemistry, School of Chemistry, Nanjing University, Nanjing, Jiangsu, 210023, P.R. China.

Angewandte Chemie (International ed. in English)
|January 20, 2026
PubMed
概括

抗生素的光催化降解可以产生危险的转化产品 (TP). 这项研究开发了一个使用机器学习和DFT的预测框架,以评估TP风险,识别高风险物种并优先考虑可持续的污染物降解.

关键词:
环境风险评估环境风险评估光催化作用的光催化热力学可行性 热力学可行性转化路径的转化路径基于工作流的预测.

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