Computational toxicology - methods and applications

Course dates

Latest course was on November 19-23, 2018.

Course organiser

The course is organised by the Advanced International Training Programme in Health Risk Assessment at IMM in collaboration with the Doctoral programme Environmental Factors and Health (EFH) at Karolinska Institutet, course number 3075 and the Executive and Professional Education Office at Karolinska Institutet.

Course credits

The course corresponds to 1.5 ECTS credits.

Learning outcomes

After the completion of the course the student should be able to:

-be able to describe what computational methods and tools are available and their proper areas of use,

-have some basic practical skills in using selected software,

-be able to describe how computational methods are applied within some relevant regulations, and

-be able to reflect on the strengths and limitations of using computational toxicology in research and regulatory risk assessment.


Computational, or in silico, toxicology, is a discipline that is focused on developing and using computer-based models to better understand and predict adverse effects caused by substances such as e.g. pharmaceuticals, chemicals and environmental contaminants. During the course, students will learn about concepts such as read-across, quantitative structure-activity relationships, quantitative structure-property relationships, machine learning, molecular modeling. How to use computational methods for exposure and kinetics modelling will also be covered, as will regulatory guidelines relevant for this discipline. The utility of computational toxicology in various settings (such as in the REACH regulation, and in drug discovery and development) will be discussed. The students will get familiar with selected (mostly freely available) software that are used in computational toxicology.

Teaching and learning activities

The course includes lectures, computer demonstrations and group assignments with computer exercises.

Course programme

The course programme for the previous course.

The course is intended for

PhD students and other participants from academia as well as participants from authorities and industry.

Course fee

The fee for participants from academia is 300 euro, from authorities 600 euro and from industry 900 euro, including VAT. Course fee includes course material and coffee breaks. Payment of course fee can only be accepted from the participant’s employer, not from individuals.

The participants must cover their costs for travel and accommodation.

Course application

Information on application procedure to the next course will be available later.

Course leaders

Annika Hanberg, Institute of Environmental Medicine, Karolinska Institutet and Charlotte Nilsson, Swetox.


Johanna Zilliacus

Senior lecturer
C6 Institute of Environmental Medicine
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