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Updated: Jun 7, 2025

Closed-loop Neuro-robotic Experiments to Test Computational Properties of Neuronal Networks
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Closed-loop Neuro-robotic Experiments to Test Computational Properties of Neuronal Networks

Published on: March 2, 2015

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汉娜:硬约束神经网络,用于一致的活动系数预测

Thomas Specht1, Mayank Nagda2, Sophie Fellenz2

  • 1Laboratory of Engineering Thermodynamics (LTD), RPTU Kaiserslautern Germany fabian.jirasek@rptu.de.

Chemical science
|November 21, 2024
PubMed
概括

我们开发了HANNA,一种新的硬约束神经网络,用于准确的热力学活动系数预测. 这种物理一致的模型优于现有的方法,并且只使用SMILES输入对任何二进制混合物都有效.

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Factors Affecting Activity Coefficient01:17

Factors Affecting Activity Coefficient

The extended Debye-Hückel equation indicates that the activity coefficient of an ion in an aqueous solution at 25°C depends on three partially interdependent properties: the ionic strength of the solution, the charge of the ion, and the ion size. 
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