Cheminformatics: Increase Transparency and Rigor in Read-Across While Reducing Reliance on Expert Judgment
Objective
Evaluate and develop read-across tools to increase the success of a prediction as follows:
- Improve and enhance currently used approaches for identifying potential analogues to increase the number and quality selected
- Identify the best approach for supporting and justifying the use of an analogue for a prediction by quantifying similarity in metabolism, reactivity and physical chemical properties
- Demonstrate application of the NGRA approach to support mechanism-based hypotheses of a read-across prediction
- Apply developed approaches to case study chemicals in collaboration with other ICCS teams
- Disseminate and educate on analogy approaches (to integrate in each of the previous 4 objectives)
Project Details
Cheminformatics Working Group
Project Leads:
- Karim Najjar, Beiersdorf
- Ann Detroyer, L'Oréal
- Cathy Lester, P&G