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Chemical Journeys
Welcome to Chemical Journeys. Explore the science and story of chemicals in the environment through conversations with people working in this area.
Chemical Journeys
Unlocking the potential of in silico tools for predicting chemical toxicity - Paul Thomas, Kreatis
In this episode I am joined by Paul Thomas, founder of Kreatis, a company that specialises in developing in silico tools for predicting chemical properties and hazard endpoints.
Join us for an interesting conversation covering:
- Paul’s early career and experiences with building a company
- Quantitative structure activity relationship (QSAR) models for predicting chemical properties
- The role of QSARs for reducing animal testing
- The role of QSARs in the new approach methodologies (NAMs) discussion
- The new QSAR Assessment Framework (QAF) and validating predictions for regulatory use
- Publicly available chemical databases and their importance for QSAR development
- Innovation in QSARs, and balancing protecting commercial interests with the need for transparency
More information about Kreatis: KREATiS - Experts in Computational (Eco)Toxicology
The QSAR Assessment Framework: (Q)SAR Assessment Framework: Guidance for the regulatory assessment of (Quantitative) Structure Activity Relationship models and predictions | OECD
Correction:
In this episode, Paul and I discussed the concept of FAIR data, in which I identify the ‘F’ term as ‘freely available’. The correct term is 'findable' (FAIR stands for Findable, Accessible, Interoperable and Reusable). More information on the FAIR principles can be found here: https://www.go-fair.org/fair-principles/