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ToxFCDB: Toxicity Database for Forever Chemicals.

Meetali Sinha1,2, Deepak Kumar Sachan1,2, Joy Chakraborty1

  • 1Computational Toxicology Group, Regulatory, GLP Compliant Studies, and Computational Toxicology (REACT), CSIR- Indian Institute of Toxicology Research, Vishvigyan Bhavan, 31, Mahatma Gandhi Marg, Lucknow 226001, Uttar Pradesh, India.

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Summary
This summary is machine-generated.

A new database, ToxFCDB, provides toxicity data for over 8000 per- and polyfluoroalkyl substances (PFAS). This resource aids in assessing risks of data-poor PFAS, supporting public health and environmental protection.

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Area of Science:

  • Environmental Chemistry
  • Toxicology
  • Computational Chemistry

Background:

  • Per- and polyfluoroalkyl substances (PFAS) are persistent synthetic chemicals with broad applications.
  • Limited toxicity data exists for many PFAS compounds, posing risks to human health and the environment.
  • Existing research has focused on well-studied PFAS, leaving data gaps for numerous others.

Purpose of the Study:

  • To develop a comprehensive web-based database (ToxFCDB) for preliminary toxicity evaluations of PFAS.
  • To prioritize data-poor PFAS compounds for further toxicological investigation.
  • To provide accessible, data-centric information for informed decision-making.

Main Methods:

  • Construction of a web-based database compiling 8204 PFAS.
  • Utilized over 50 Quantitative Structure-Activity Relationship (QSAR) models and databases for in silico evaluations.
  • Compiled data including molecular structures, properties, toxicological data, and human targets.

Main Results:

  • The ToxFCDB contains detailed information on 8204 PFAS compounds.
  • Includes molecular structures, physicochemical and toxicokinetic properties, QSAR predictions, and toxicological data.
  • Identifies chemical genes and human targets associated with PFAS.

Conclusions:

  • ToxFCDB serves as a valuable resource for industrialists, policymakers, and researchers.
  • Facilitates risk assessment and informed decision-making regarding PFAS.
  • Encourages further toxicological research and the redesign of safer chemicals and polymers.