Computational toxicology for regulatory purposes

Learn how to apply QSAR, read-across and other in silico models for regulatory purposes.

How to apply (Q)SAR and read across for regulatory purposes?

In this course, you will learn about different regulations in the chemistry field, how in silico predictions are accepted by them, and which conditions they have to fulfil. The course will provide you with the theoretical background of read across, SAR and QSAR methods, and you will learn how to apply these methods with different software options, including QSARToolbox, ProtoPRED, EPISUITE and OPERA. You will also learn how to interpret the resulting output and get information about the reliability of your prediction.

Computational toxicology for regulatory purposes

Module 1 of the course is a theoretical module which aims to provide you with the necessary background of the current regulations to understand what information is required for the registration of a chemical compound and how computational methods can help to complete this information.

In module 2, an overview of the different computational prediction methods is provided. Furthermore, you will learn which conditions the models and predictions must fulfil for regulatory validity. In addition, practical hands-on exercises will be carried out to apply different read across and (Q)SAR models. We will provide instructions about how to install/access the software on your computer, followed by an engaging video example to guide you. Afterwards, you’ll have the opportunity to practice through a series of hands-on exercises, complete with predefined solutions to support your learning.

This course will be conducted online, allowing interaction with other students and teachers through forums, emails, and scheduled online sessions. After course completion, participants will obtain a certificate with details about the course content and dedication.

For more details, please download the course content.

Introduction to (Q)SAR and read across

Course summary

Regulatory aspects for the registration of chemical products

Introduction, definitions and basic concepts
REACH regulation
CLP regulation
Other regulations (ICH, Cosmetics, etc…)

Computational methods in regulatory chemistry

Introduction to computational methods
Methods based on structural alerts
Read across and trend analysis with QSAR Toolbox
QSAR prediction with different platforms (ProtoPRED, OPERA, VEGA, EPISUITE, etc…)

Final exercise

Apply the knowledge obtained throughout the course
Participants will contribute to the generation of a regulatory compliance report for a chemical substance, following the guidelines of one of the regulations covered in Module 1

Practical information

Mode: Online

When: Starting on 30 May 2025

Estimated hours: 60

Pre-registration: Fill in this form

Contact: training@protoqsar.com

Language: English

Price: 900€*

*A 50% discount will be applied to accredited students. Discounts for groups are available.