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Updated: Jun 18, 2026

Open Source High Content Analysis Utilizing Automated Fluorescence Lifetime Imaging Microscopy
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F-CPI:一种多模式深度学习方法,用于预测由替代引起的复合生物活性变化

Qian Zhang1, Wenhai Yin1, Xinyao Chen2,3

  • 1School of Computer Science and Technology, Shanghai Frontiers Science Center of Molecule Intelligent Syntheses, East China Normal University, Shanghai 200241, China.

Journal of medicinal chemistry
|December 20, 2024
PubMed
概括

这项研究介绍了F-CPI,这是一种深度学习模型,用于预测替代如何影响药物化合物与蛋白质相互作用. 通过准确预测生物活性变化,F-CPI改善了药物发现,超过了现有的方法.

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VSEPR Theory for Determination of Electron Pair Geometries
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Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
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The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at approximately 1.7, 1.2 and 0.7 ppm, while the proton signal from methane appears at 0.23 ppm. An electronegative substituent, such as chlorine, withdraws the electron density from the protons, increasing their chemical shift. Progressive substitution of the hydrogens in methane by chlorine shifts the proton signals increasingly downfield, to 3.05 ppm in...