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Updated: Jan 10, 2026

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如何构建能够从标准推断到改性的机器学习模型

Raúl Fernández-Díaz1,2,3,4, Rodrigo Ochoa5, Thanh Lam Hoang6

  • 1IBM Research, Dublin, Ireland. raul.fernandezdiaz@ucdconnect.ie.

Journal of cheminformatics
|November 28, 2025
PubMed
概括

标准生物活性的预测模型可能无法可靠地预测改性的行为. 这项研究调查了化学改性的计算建模挑战,这对于药物发现至关重要.

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Peptide Identification Using Tandem Mass Spectrometry

Tandem mass spectrometry, also known as MS/MS or MS2, is an analytical technique that employs two mass analyzers. Essentially it is a series of mass spectrometers that helps isolate a particular biomolecule and then helps study its chemical properties.
This technique helps gather information regarding the protein from which the peptide was obtained and to study the peptides’ amino acid sequence. Identifying peptides from a complex mixture is an important component of the growing field of...
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