以数据为指导的添加剂的合理设计,用于化高化纳烯:整合化学和机器学习

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Updated: Feb 28, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

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Naoya Ohtsuka1,2, Muhammad Zhafran Mohd Aris1,3, Toshiyasu Suzuki1

  • 1Institute for Molecular Science, Okazaki, Aichi 444-8787, Japan. momiyama@ims.ac.jp.

Physical chemistry chemical physics : PCCP
|February 27, 2026
PubMed
概括

研究人员使用机器学习开发了一个以数据为导向的框架,用于设计在室温下高化芳香化合物的高效化添加剂. 这种预测策略可以提高产量和增材回收,促进化学合成.

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