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Updated: Jul 11, 2025

Computational Modeling of Retinal Neurons for Visual Prosthesis Research - Fundamental Approaches
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Published on: June 21, 2022

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预测溶解自由能量使用电子阴性-平衡原子电荷和密集的神经网络:一种普遍的方法

Sergei F Vyboishchikov1

  • 1Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Carrer Maria Aurèlia Capmany 69, 17003 Girona, Spain.

Journal of chemical theory and computation
|November 14, 2023
PubMed
概括

一个新的密集神经网络,ESE-GB-DNN,准确地预测了分子和离子的溶解自由能量. 这种方法提供了高效率和精度,与各种溶剂的标准DFT方法相竞争.

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