Case studies on the use of the 4 platforms
Practical applications of different tools, available within the four in silico platforms
In this session eight case studies are reported showing practical applications of several in silico tools and how integrate their results.
The strategies explained can be useful both for industry and regulators.
Case study n. 1
Integration of multiple QSARs for in vitro mutagenicity (Ames)
Rodolfo Gonella Diaza; knoell Germany Gmbh
Prediction of in vitro gene mutation in bacteria with two (Q)SAR models and results documentation in IUCLID
· Knowledge-based model: VEGA – Mutagenicity (Ames test) model (ISS)
· Statistical model: Danish (Q)SAR Database - Bacterial reverse mutation test (Ames test in S. typhimurium in vitro) – Battery model
Case study n. 2
Integration of multiple QSARs for Log KOW
Andrzej Szymoszek; knoell Germany Gmbh
Prediction of octanol-water partition coefficient Log Kow by using VEGA (Q)SAR models:
· Meylan/KOWWIN
· MLogP
· ALogP
Documentation of QSAR results in IUCLID fo REACH dossier preparation
Case study n. 3
Integration of multiple QSARs for BCF
Claudia Ileana Cappelli; knoell Germany Gmbh
Case study by using and integrating two (Q)SAR models for assessing bioconcentration factor:
· VEGA/Caesar model
· OCHEM/Gramatica&Papa (2005) model
Case study n. 4
EU Life CONCERT REACH Gateway - case study
Giuseppa Nelly Raitano; Istituto di Ricerche Farmacologiche Mario Negri IRCSS
Multiple case studies by using VERA & SWAN
Use of VERA and SWAN for the assessment of the carcinogenic potential of different compounds
Erika Colombo and Edoardo Luca Viganò; Istituto di Rcierche Farmacologiche Mario Negri IRCSS
Multiple case studies by using the new VERA tool, for automated read-across assessments on carcinogenicity
Erika Colombo and Edoardo Luca Viganò; Istituto di Rcierche Farmacologiche Mario Negri IRCSS