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由人工智能引导的循环的简化和增强的VCD分析

João M Batista1, Valentin Paul Nicu2

  • 1Federal University of São Paulo, Institute of Science and Technology, R. Talim 330, 12231-280, São José dos Campos-SP, Brazil. batista.junior@unifesp.br.

Physical chemistry chemical physics : PCCP
|August 10, 2023
PubMed
概括

在溶液中表征循环是具有挑战性的. 一种新的基因算法引导的振动循环二元化 (VCD) 方法简化了这一过程,为这些重要的药物化学结构提供了更高的有效性和符合分辨率.

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