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March 30, 2026Analytical Chemistry

Database of Chemicals for Organophosphorus (DCOP): An Information Application Platform for Organophosphorus Compounds

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Authors

RBRuifeng BiQZQibo ZhangRLRuyi Li

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Overview

A new platform integrates cheminformatics data to predict mass spectra of organophosphorus compounds, enhancing regulatory practices.

Key Points

  • The research aims to create a comprehensive database of organophosphorus compounds for better environmental risk assessment.
  • Curated and integrated cheminformatics data from academic and public sources.
  • Constructed a structured library of organophosphorus compounds classified by chemical structure.
  • Prioritized high-production-volume organophosphorus compounds for targeted research.
  • Developed a deep learning model using graph neural networks to predict mass spectra for organophosphorus compounds.
  • Established DCOP as a large-scale open-access platform for organophosphorus compound data.
  • Improved prediction of tandem mass spectra with minimal reference data.
  • Facilitated enhanced environmental monitoring and regulatory decision-making for organophosphorus compounds.

Cite This Study

Bi et al. (2026) studied this question.

synapsesocial.com/papers/69ca134b883daed6ee09526bhttps://doi.org/10.1021/acs.analchem.5c06885
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