OECD QSAR ToolBox training
The focus of this course is on the functionality of the OECD QSAR Toolbox and how to use it for higher tier toxicological endpoints. This course is for attendees who have either attended our "Understanding QSAR and read-across" course or who are already familiar with the theory of QSAR and know how to build a read-across strategy.
The OECD QSAR Toolbox is software designed to support hazard assessment of chemicals as well as to increase mechanistic and other knowledge on chemical substances in a cost-efficient way. As a freely available computational tool, it promotes the use of assessment methods alternative to animals and minimizes unnecessary animal testing without reducing the safety of human health and environment. It is intended to be used by governments, chemical industry and other stakeholders.
10 hours split into five sessions run over three and two consecutive days for two weeks. The aim of the course is to familiarize with the OECD QSAR ToolBox in a practical way by examples and exercises.
February 2021 Course (course provisionally full)
10:00 - 12:00 (UK time zone) every day on:
2, 3, 4, 9 and 10th February
April 2021 Course (preferable time for America)
14:30 - 16:30 (UK time zone) every day on:
13,14,15, 20 and 21th April
Early bird registration fee: £660 + VAT (deadline 2 week before chosen course)
Full registration fee: £760 + VAT
Breaking down the whole course into short sessions over consecutive days allows you to consolidate what you have learned before the next session and to better elaborate questions.
In addition to the attendance on the live streaming, you receive a copy of the recording for your personal use and all the material related to the course. Finally, the trainer is available at any time during the session or afterwards to answer your course-related questions.
A certificate of attendance is also available upon request.
Optimal involvement and interactions between the trainer and the trainees are ensured by limiting the number of attendees to 5 per class. The trainees are encouraged to interact, ask and answer questions with the other trainees and trainer.
The trainer, Dr. Elena Fioravanzo, is a qualified chemist and a well-recognized scientific investigator in computational chemistry and computational toxicology. She has more than 20 years of experience as a consultant and in providing training on approaches and on specific software.
• Introduction to the OECD QSAR ToolBox
• Input structure(s)
• Profiling: selection and use of the different profilers
• Data collection: selection and use of the different databases
• Queries: build complex queries to interrogate the databases
• Import data
• How to identify analogues with the OECD QSAR ToolBox
• Data gap filling with QSAR with the OECD QSAR ToolBox
• Data gap filling with read-across with the OECD QSAR ToolBox
• Data gap filling with trend analysis with the OECD QSAR ToolBox
• Automated and standardized workflow
• Report generation
• Examples of predictions and exercises on genotoxicity and carcinogenicity
• Examples of predictions and exercises on aquatic toxicity, acute toxicity and skin sensitization
• Examples of predictions and exercises on repeated dose toxicity and reproductive toxicity
To ensure the quality of the training and to allow all the participants to meet their goals the number of attendees is limited to 5 per class. Registrations will be accepted on a first come, first serve basis.
To reserve your place or ask for information, please send an e-mail to:
To ensure the quality of the training and to allow all the participants to meet their goals the number of attendees is limited to 20. Registrations will be accepted on a first come, first serve basis.
Session 1 - 2 hours - Searching for chemical data and evaluate structural similarity
Substance, chemical structure, identifiers
Molecular descriptors I
Practical examples will be demonstrated using: ChemSpider, OECD QSAR ToolBox, COSMOS DB, ChemTunes•ToxGPS©, AMBIT
At the end of this session you'll be able to:
Search chemical databases using a identifier, a chemical structure or a chemical substructure
Calculate molecular descriptors
Calculate structural similarity