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Company sponsored courses
Recognised by EUROTOX for Continued professional Development for ERT accredited toxicologists
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— Fanny Boisleve, Responsible of Fragrances and Fragrance materials Safety assessment at CHANEL (posted in LinkedIn in July 2020)

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During the Covid period, with my team we had the opportunity to experiment a very good training with ToxNavigation to better understand how we can use QSAR and read-across.
It was wonderfully organized and managed by Peter and Elena.
Intensive courses with exercises, which were helpful to test knowledges and start practices.
The 5 sessions were recorded and they are part of the tool provided by ToxNavigation. That is a very useful tool ! When 2 weeks later you are alone face to the tool and you don’t remember where you have to click to collect the data, you are happy to watch again this part of the training!

The Company Specific course is typically for up to 5-10 attendees and based on the standard
"New Approach Methodologies (NAMs) - Use & application of QSAR and Read-across"
course with an optional extension to include the "Use of the OECD QSAR Toolbox" course

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The company specific course has these additional benefits from our standard course:

  • The content can be modified to include relevant chemistry and toxicology endpoints

  • Allows the attendees the freedom to ask confidential questions to the tutor

  • The convenience of choosing the dates on which the course is run.

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Each course can be run either on-site over two days (per course) or as a video live-streamed
course of 12.5 hours split into five 2.5 hour sessions.

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For both on-site and live streamed courses, the sessions are recorded and delivered to the attendees along with all materials 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.

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Optimal involvement and interactions between the trainer and the trainees are ensured by limiting the number of attendees per class. The trainees are encouraged to interact, ask and answer questions with the other trainees and trainer.

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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. 

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The price of the course would depends on the amount of requested bespoke preparation but would start from £5,900 per course

 

Registration

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To book a course or ask for information, please send an e-mail to training@toxnavigation.com

Typical Program: NAMs - Use and application of QSAR and read-across

Session 1:
Toxicology Data Resources

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Chemical identifiers
Toxicology Data Resources

 

 

 

Learning outcome
At the end of this session you should be able to:

  • understand and use the most common chemical identifiers to ensure accuracy of chemical structures

  • have some basic practical skills in using selected tools to find relevant toxicological data

     

Session 2:
Molecular descriptors & structural similarity

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Most common molecular descriptors

Structural similarity

 

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Learning outcome
At the end of this session you should be able to:

  • basic understanding and use the most common molecular descriptors and their application in read-across

  • have some basic practical skills in using selected tools to obtain or calculate molecular descriptors and to evaluate the structural similarity between two chemical structures
     

Session 3:
(Q)SAR models

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Rule and statistical-based models
Combination to reduce uncertainty
Free QSAR software for regulatory toxicology

Learning outcome

At the end of this session you should be able to:

  • understand concepts and principles of rule-based and statistical-based (Q)SAR models and which are the pros and cons of the different methodologies

  • have some basic practical skills in using selected tools to obtain predicted toxicological properties

Session 4:
Interpretation of (Q)SAR

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Introduction to the main guidelines on how to use and report (Q)SARs
The selection of (Q)SAR models best suited for regulatory toxicology
How to report (Q)SAR for regulatory toxicology
The correct interpretation of (Q)SAR predictions and the description of the associated uncertainty

Learning outcome
At the end of this session you should be able to:

  • reflect on the strengths and limitations of rule-based and statistical-based (Q)SAR models and their proper areas of use

  • understand concepts and principles of the validation of (Q)SAR models

  • have some basic practical skills in interpretation of (Q)SAR predictions and in reporting (Q)SAR for regulatory toxicology

Session 5:
Read-across approach

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The read-across concept
Frameworks for read-across
Forming rational groups of chemicals & how to find suitable analogues
Freely available read-across software

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Learning outcome
At the end of this session you should be able to:

  • understand concepts and principles of read-across and the strategies to identify analogues

  • have some basic practical skills in using the OECD QSAR ToolBox to obtain toxicological properties predicted with a read-across approach

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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. 

Session 1 - 2 hours - Searching for chemical data and evaluate structural similarity

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  • Substance, chemical structure, identifiers

  • Databases

  • Molecular descriptors I

  • Structural similarity

 

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

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Typical Program: Using the OECD QSAR Toolbox

Session 1:

Introduction to the OECD QSAR ToolBox

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Input module
Profiling module
Data module
Category Definition module 
Data Gap Filling module
Report module 

Demonstrations with the Toolbox:
Query searches
Substructure searches
Profilers and databases

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Session 2:

Data gap filling with read-across for skin sensitization (SS)

Databases and profilers for SS

How to identify analogues for SS

How to identify analogues for SS considering the products of biotic or abiotic transformations



Demonstrations with the Toolbox:
How to identify analogues  for SS, CC(C)CCCOCC1CO1
How to identify analogues for SS considering the products of biotic or abiotic transformations for CAS 2785-89-9​

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Session 3:

Data gap filling with read-across for SS

Application of the AOP for SS
Automated and standardized workflows for SS
Automated workflow for a defined approach for Skin Sensitization
Mixtures

Demonstrations with the Toolbox:
Application of the SS AOP workflow, CAS 80-54-6
Automated and standardized workflows for SS for CC(C)CCCOCC1CO1
Automated workflow for SS (DA), CAS 2311-59-3
Mixture: Independent MOA
Mixture: Similar MOA

 

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Session 4:
Data gap filling with read-across for genotoxicity, carcinogenicity and repeated dose toxicity

Databases and profilers for repeated dose toxicity
Read-across for repeated dose toxicity, analogues based on a Mechanism of Action
Databases and profilers for genotoxicity and carcinogenicity and how to identify analogues

Demonstrations with the Toolbox:
Analogues based on a MOA, repeated dose toxicity for CAS 5530-30-3
In vitro genetic toxicity, negative prediction for C=CC(=O)OCCCCCCCOC(=O)C=C
In vitro genetic toxicity, positive prediction for CCCc1c(N)ccc2ccccc12
In vivo genotoxicity, negative prediction for
CAS 102-71-6

Session 5:
Data gap filling with read-across for reproductive toxicity and aquatic toxicity
 

Databases and profilers for reproductive toxicity and how to identify analogues
Databases and profilers for acute toxicity
Automated and standardized workflows for aquatic toxicity

 

 



Demonstrations with the Toolbox:
Toxicity to reproduction, read-across for 
CAS 4247-02-3
Aquatic toxicity, application of AW for
CAS 15356-70-4
Aquatic toxicity, application of SW for 
CAS 540-42-1

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