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Local QSAR based on quantum chemistry calculations for the stability of nitrenium ions to reduce false positive outcomes from standard QSAR systems for the mutagenicity of primary aromatic amines

Crossref DOI link: https://doi.org/10.1186/s41021-024-00318-4

Published Online: 2024-11-21

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Muto, Shigeharu

Furuhama, Ayako

Yamamoto, Mika

Otagiri, Yasuteru

Koyama, Naoki

Hitaoka, Seiji

Nagato, Yusuke

Ouchi, Hirofumi

Ogawa, Masahiro

Shikano, Kisako

Yamada, Katsuya

Ono, Satoshi

Hoki, Minami

Ishizuka, Fumiya

Hagio, Soichiro

Takeshita, Chiaki

Omori, Hisayoshi

Hashimoto, Kiyohiro

Chikura, Satsuki

Honma, Masamitsu

Sugiyama, Kei-ichi

Mishima, Masayuki https://orcid.org/0000-0002-3024-3869
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Text and Data Mining valid from 2024-11-21

Version of Record valid from 2024-11-21
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Article History

Received: 29 June 2024

Accepted: 12 November 2024

First Online: 21 November 2024

Declarations

:

: Not applicable.

: Not applicable.

: The authors declare that there are no competing interests.

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