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Updated: Feb 5, 2026

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
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Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs

Published on: January 17, 2020

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RetNeXt:在MOF吸附空间中进行传输学习的预训练模型.

Antonios P Sarikas1, Konstantinos Gkagkas2, George E Froudakis1

  • 1Department of Chemistry, University of Crete, Voutes Campus, 70013 Heraklion, Crete, Greece.

Journal of chemical information and modeling
|February 3, 2026
PubMed
概括

对于金属有机框架 (MOFs) 的机器学习模型现在可以在气体和条件上进行概括. 一个新的多任务预训练模型RetNeXt显著提高了吸附性质预测的数据效率.

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相关概念视频

Transfer Function to State Space01:23

Transfer Function to State Space

State-space representation is a powerful tool for simulating physical systems on digital computers, necessitating the conversion of the transfer function into state-space form. Consider an nth-order linear differential equation with constant coefficients, like those encountered in an RLC circuit. The state variables are selected as the output and its n−1 derivatives. Differentiating these variables and substituting them back into the original equation produces the state equations.
In an RLC...
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State Space to Transfer Function01:21

State Space to Transfer Function

The conversion of state-space representation to a transfer function is a fundamental process in system analysis. It provides a method for transitioning from a time-domain description to a frequency-domain representation, which is crucial for simplifying the analysis and design of control systems.
The transformation process begins with the state-space representation, characterized by the state equation and the output equation. These equations are typically represented as:
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Analyte Adsorption and Distribution01:09

Analyte Adsorption and Distribution

In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
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Space Trusses01:25

Space Trusses

A space truss is a three-dimensional counterpart of a planar truss. These structures consist of members connected at their ends, often utilizing ball-and-socket joints to create a stable and versatile framework. The space truss is widely used in various construction projects due to its adaptability and capacity to withstand complex loads.
At the core of a space truss lies the fundamental unit known as the tetrahedron. This structure is composed of six members that form a three-dimensional shape...
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State Space Representation01:27

State Space Representation

The frequency-domain technique, commonly used in analyzing and designing feedback control systems, is effective for linear, time-invariant systems. However, it falls short when dealing with nonlinear, time-varying, and multiple-input multiple-output systems. The time-domain or state-space approach addresses these limitations by utilizing state variables to construct simultaneous, first-order differential equations, known as state equations, for an nth-order system.
Consider an RLC circuit, a...
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Space Trusses: Problem Solving01:29

Space Trusses: Problem Solving

A space truss is a three-dimensional counterpart of a planar truss. These structures consist of members connected at their ends, often utilizing ball-and-socket joints to create a stable and versatile framework. Due to its adaptability and capacity to withstand complex loads, the space truss is widely used in various construction projects.
Consider a tripod consisting of a tetrahedral space truss with a ball-and-socket joint at C. Suppose the height and lengths of the horizontal and vertical...
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