Just out of press: Developing Structure-Activity Relationships for N-Nitrosamine Activity

New Scientific Knowledge & Development
#1

If you follow close attention to Nitrosamine activities and development, the names Kevin Cross (@kpcross) and David Ponting (@David) are familiar to you.

David shares with us a new publication, “Developing Structure-Activity Relationship for N-Nitrosamine Activity” The article describes the collaboration of ad hoc workgroup of 23 companies and universities with the goals of addressing several scientific and regulatory issues. It also reviews current progress to date towards the development of mechanistically based structure-activity relationships. Improving risk assessment of N -nitrosamines by first establishing the dominant reaction mechanism prior to retrieving an appropriate set of close analogs for use in read-across exercises.

The article is Open-access. We have an incredible opportunity to engage with both David and Kevin here in the community to deepen the discussion of this approach.

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#2

Note this just came out today and is an uncorrected proof at this time.

Kevin

#3

The final version of this is now available, at the same link

#4

David, is the final version also Open-access?

#5

It is, yes - Lhasa and Instem felt the material was important enough that we’ve paid the appropriate fee to make it so.

#6

Thanks @David and @kpcross . Unique opportunity @trust_level_0 @trust_user_b

In this article both Kevin and David propose improving risk assessment of N -nitrosamines by first establishing the dominant reaction mechanism prior to retrieving an appropriate set of close analogs for use in read-across exercises.

Please free to post any question, comments or feedback, this is a unique opportunity to engage with both experts in this forum.

Open (Free) access to the article here: https://doi.org/10.1016/j.comtox.2021.100186

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#7

Also including a couple supplemental articles (Open Access):

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