Understanding QSARs and read-across and their applications in regulatory toxicology
Objectives of the course
With regulators encouraging the reduction of in vivo tests according to the principles of the 3Rs this 2 day course will provide an understanding of methods for in silico toxicology with an emphasis on appropriate use in regulatory toxicology.
Specifically the course will:
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Review the current scientific basis and application of read-across and QSAR in toxicology
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Interpret the meaning of in silico predictions
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Describe the methods that will increase the probability of acceptance of predictions for regulatory use
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Use hands-on activities on selected case studies to put theory into practice.
Understanding and using QSARs
QSAR for the prediction of toxicity will be illustrated, focussing on:
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The description of freely available and commercial QSAR software for regulatory toxicology.
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The selection of QSAR models best suited for regulatory toxicology (OECD principles).
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The correct interpretation of predictions and description of the associated uncertainty.
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Combination of predictions to reduce uncertainty.
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Checking the applicability domain of models and analysis of nearest neighbours.
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Increasing the successful use of predicted values in regulatory toxicology.
Understanding and applying read-across
The application of read-across for toxicity prediction will be described, focussing on:
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The read-across concept and its application using different methods and approaches.
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How to find suitable analogues.
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The creation and justification of a read-across hypothesis evaluating similarities and differences in chemical structures.
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The role of New Approach Methodology (NAM) data in supporting a read-across.
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The definition and evaluation of uncertainties for read-across.
At a glance
Interact
138 Southwark Bridge Road, London, SE1 0DG
23 - 25 June 2020
2 days £ 800 + VAT
3 days £ 1,200 + VAT
Who should attend
Scientists involved in chemical risk assessment and product development:
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toxicologists
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eco-toxicologists
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chemists
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chemoinformaticians
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regulatory scientists
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risk assessors
Registration:
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.
At a glance
Flyer
Hands-on
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QSAR software for regulatory toxicology: ToxTree, ChemTunes•ToxGPS®, ACD/Name, ACD/Percepta, ChemSpider, OChem
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Finding data for source and target: COSMOS DB, OECD Toolbox
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Software to Support Read-Across: OECD Toolbox and ChemTunes•ToxGPS®