🖩 CPCA Calculation Tool (excel-based) -Updated

Limits of Nitrosamines
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🖩 CPCA Calculation Tool (excel-based)
Dear Nitrosamine Exchange members, I am super excited to post for you an excel-based CPCA calculation tool developed by two of our community members @Yosukemino and @lucas10mauriz, to facilitate the calculation of Carcinogenic Potency Categorization

Please show your appreciation to both Yosuke and Lucas for their hard work and willingness to develop this informational purpose-only tool. Please, provide the proper credit when using or sharing this calculation tool.

It’s fantastic to see this type of collaboration fostered by the community.

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Disclaimer

By using this tool, you agree to the following terms: The Calculation Tool, including all of its features and content, is made available and may be used solely under the following terms and conditions: a) This Calculation Tool is not for commercial exploitation. You may not decompile, reverse engineer, disassemble, rent, lease, loan, sell, sublicense, or create derivative works from this Calculation Tool. You may not copy, modify, reproduce, republish, distribute, display, or transmit for commercial, non-profit or public purposes all or any portion of this Calculation Tool. Any unauthorized use of this Calculation Tool is prohibited. b) The Calculation Tool is not intended to and does not constitute legal advice. The accuracy, completeness, adequacy or currency of the Calculation Tool is not warranted or guaranteed. Your use of this Calculation Tool or materials linked from this Calculation Tool is at your own risk. c) Except as expressly provided in these Terms of Use, nothing contained herein shall be construed as conferring any license or right, by implication, estoppel or otherwise, under copyright or other intellectual property rights. You agree that the Calculation Tool is protected by copyrights, trademarks, service marks, patents or other proprietary rights and laws. d) As a user of this Calculation Tool you are granted a nonexclusive, nontransferable, revocable, limited license to access and use this Calculation Tool in accordance with these Terms of Use. The Calculation Tool is protected by copyright pursuant to U.S. and international copyright laws.

@trust_user_a @trust_user_b @trust_user_c

Update V4_2 - Including FDA references [Aug 2023]
CPCA classification spreadsheet v4_2 -Nitrosamine Exchange.xlsx (227.8 KB)

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Fantastic work @Yosukemino & @lucas10mauriz

Is it possible to paste SMILES in order to generate structures? I am not able to paste structure image. It is asking to unprotect the sheet using password.

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The structure box is only for reference purpose, the calculation will not calculate based on smiles, JSON, or any structural draw. It’s a manual process; However, If anybody is willing to help build such capability using structural calculations in excel, we are open to explore that!

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感谢@Yosukemino & @lucas10mauriz无私的奉献。

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Thanks @Yosukemino @lucas10mauriz for your generous tool! Definitely helpful.

Hope with the help of experts @David and others, we can make this tool more comprehensive with additional structural features that could be acceptable!

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Thank you @Yosukemino and @lucas10mauriz for the support to total community.
I will keep posting after usage

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Dear Naiffer,

Very good tool indeed!
Will this document be published so we could refer to it when using it? Thanks

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Great help to scientist who are working on Nitrosamine, this sheet will give comfort for CPC finalizations

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Thanks so much! @Yosukemino and @lucas10mauriz :clap: :clap: :clap:

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That’s the plan! Obviously the process will involve collaboration with health authorities; I have some thoughts but I’m not going to propose them for inclusion into a formal CPCA until consensus is achieved…

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Thank you so much @Yosukemino and @lucas10mauriz for this great work!!

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Thank you @lucas10mauriz and @Yosukemino for the great work. Really appreciated!

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Wonderful @David. I hope your efforts and plan should get success and reach more consensus.

I strongly believe based on more comprehensive addition of structural features definitely some more NDSRIs and nitrosamine impurities could get pushed from AI 18 ng/day to above levels!!

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@Naiffer_Host, I appreciate your mention of our work, but I must emphasize that this project wouldn’t have been possible without your support and guidance. Please give credit to him as well!

This spreadsheet is the result of a well-organized teamwork effort. Thank you, @Yosukemino , too!

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Thank you @lucas10mauriz & @Yosukemino for the great work.

Really appreciated!!!

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Certainly, this is just the first step. I kindly request the entire community to send us their suggestions for improvements.

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Wow its amazing work done by @Yosukemino @lucas10mauriz.

Thank you very much to all of you…

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Thank you, useful tool.

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Many thanks to @Yosukemino & @lucas10mauriz for sharing this sheet. :+1:

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