ICCS - International Collaboration on Cosmetics Safety

  Cheminformatics:  Development of a Cheminformatics Platform to Support a Toxicity Global Prediction System (CE- ToxGPS) Based on ChemTunes•ToxGPS®

Objective

This project is developing a cheminformatics platform which facilitates efficient and scientifically robust next generation risk assessments (NGRAs) of systemic toxicity caused by cosmetic chemicals. The NGRA workflow evaluates and integrates chemical descriptors, legacy in vitro and in vivo data on the chemicals of interest plus chemically and biologically similar compounds, plus new data generated. The goal is to develop a bespoke cheminformatics platform which can enable consortium members and relevant regulatory scientists (including SCCS members) to access and interpret relevant NGRA data conveniently and consistently. We are developing a platform (CE-ToxGPS) which is customised from a pre-existing proprietary cheminformatics platform (ChemTunes•ToxGPS®) by addition of features and content that are required to support cosmetic chemical NGRAs. The new data content and features include: in vitro data generated on case study chemicals within the LRSS ADME Taskforce; legacy in vivo safety data; customised uploading of data obtained by LRSS consortium companies; structured workflows that support biological and chemical read-across; plus data export functionality. 

Project Details

Cheminformatics Working Group

Project Leads:

  • Karim Najjar, Beiersdorf
  • Ann Detroyer, L'Oréal
  • Cathy Lester, P&G


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