live-streaming OECD QSAR ToolBox training
New live-streaming training courses to avoid the current problems of travelling
OECD QSAR ToolBox training
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.
September 14, 15, 16, 21, 22 from 10:00 to 12:00 GMT
Summer offer until 1st August 2020: £600 + VAT
Early bird registration fee: £660 + VAT (deadline 1 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
• Strategies to identify analogues
• Data gap filling with QSAR
• Data gap filling with read-across
• Data gap filling with trend analysis
• Strategies to identify and qualify uncertainty
• Automated and standardized workflow
• Report generation
• Examples of predictions and exercises on acute toxicity, genotoxicity and carcinogenicity
• Examples of predictions and exercises on skin sensitization and repeated dose 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:
You can book directly here:
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