Comment on the Definition and Labeling of p K 50

We propose a more rigorous definition for the recently introduced concept of p . The value of p should be associated not with a "functional group", as originally postulated, but instead with an atom. The proposed clarification is meant to improve the interpretation and labeling of p .

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Bibliographic Details
Published inJournal of chemical information and modeling Vol. 63; no. 17; pp. 5396 - 5399
Main Authors Watson, Mark A, Johnston, Ryne C, Bochevarov, Art
Format Journal Article
LanguageEnglish
Published United States 11.09.2023
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Summary:We propose a more rigorous definition for the recently introduced concept of p . The value of p should be associated not with a "functional group", as originally postulated, but instead with an atom. The proposed clarification is meant to improve the interpretation and labeling of p .
ISSN:1549-9596
1549-960X
DOI:10.1021/acs.jcim.3c01210