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An Introduction to Replacing Experimentations using Read-Across and QSAR Modelling


Part 1


• Introduction to OECD QSAR Toolbox
• Overview of all the tool functionalities. 

Part 2

Profiling and category formation

• Introduction to profiling and category formation approaches in the tool

Part 3

Read-Across and QSAR predictions

• Physicochemical endpoints
• Ecotoxicological and environmental endpoints
• Human health endpoints
• Training participants can choose the endpoints and the chemical structures to be used as case studies.

Part 4

Read-Across/QSAR prediction reports

• Generation of prediction reports which could be used for regulatory purposes.


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1 day

1 100 Excl VAT


► Understanding the OECD QSAR Toolbox interface and functionalities.

► Be able to use the tool to obtain profiling and Read-Across/QSAR predictions for various physicochemical, ecotoxicological and human health endpoints.

► To assess the reliability in predictions derived using the OECD QSAR Toolbox.

► To generate prediction reports for the read-across and QSAR results.


► Toxicologists and Ecotoxicologists
► QSAR and Read-across experts
► REACH consultants

Fiche pdf


more detailsFaizan SAHIGARA completed his Master’s degree in Bioinformatics from King’s College London in 2010 during which he gained a thorough knowledge and training in the areas of Chemoinformatics, Protein-Protein interactions and programming languages. Later, he had been carrying out his research within the Marie Curie Initial Training Network – Environmental Chemoinformatics (ECO-ITN) to develop novel strategies in defining the Applicability Domain of QSAR models. In June 2013, as a part of his Marie Curie fellowship, he successfully defended his PhD work at the University of Milano-Bicocca, Italy. In October 2013, Faizan joined CEHTRA to develop High Accuracy QSARs (HA-QSARs) and strict validation of these models with a major focus on clearly defining their applicability domain and implementing statistical approaches to demonstrate the reliability in model predictions. Since October 2015, Faizan has joined KREATiS and is continuing his role as in Silico validation and Statistics Advisor.
Expert Toxicologist
more detailsCarole Charmeau holds a PhD in Toxicology and is qualified as a European Registered Toxicologist (ERT). She has 20 years of experience with industrial chemicals and agrochemicals gained at IARC and Rhodia. She joined CEHTRA in 2008 as a senior toxicologist to strengthen the REACH team, providing strategy to assess the hazard of chemicals for human health using alternative methods. Carole is also specialised in the derivation of Derived No Effect Levels for the human. She developped the IFRA consumer exposure scenarios guidance (2011) and was involved in ECHA’s project for the consumer risk assessment developing scenarios in ConsExpo to be imported in CHESAR. Since 2014, Carole has participated in human health R&D projects at KREATiS, a daughter company of CEHTRA specialised in the development of High Accuracy In-Silico models to predict regulatory experimental endpoints such as skin/eye irritation potential or skin sensitisation potential of chemicals. In January 2018, Carole joined KREATiS as Managing Director of the company where she continues to provide expert toxicology advice for both CEHTRA and KREATiS.
more detailsMelanie DELANNOY obtained her Master’s degree in Chemistry from the Universidad Central de Venezuela (UCV) in 2006, during this time she showed interest in organic chemistry and molecular modelling. At the UCV she worked for two years as research project manager during which she gained knowledge in phytochemistry and anti-inflammatory bioactivity. In July 2012, she obtained her PhD in Organic Chemistry from the Université de Bordeaux during which she gained knowledge in applied organic synthesis, biophysics, protein-ligand interactions and cellular biology. Later on, she was a post-doctoral researcher for one year at the École Supérieure de Physique et de Chimie Industrielles de la Ville de Paris (ESPCI Paris tech) were she re-enforced her knowledge in organic reactivity. Recently, she created a smartphone application to perform the synthesis of famous organic molecules. She joined KREATiS in November 2017 and is working on the development of new models to replace experimentation for human health endpoints.
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