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.
Muto S, Furuhama A, Yamamoto M, Otagiri Y, Koyama N, Hitaoka S, Nagato Y, Ouchi H, Ogawa M, Shikano K, Yamada K, Ono S, Hoki M, Ishizuka F, Hagio S, Takeshita C, Omori H, Hashimoto K, Chikura S, Honma M, Sugiyama KI, Mishima M.
Muto S, et al. Among authors: hitaoka s.
Genes Environ. 2024 Nov 21;46(1):24. doi: 10.1186/s41021-024-00318-4.
Genes Environ. 2024.
PMID: 39574188
Free PMC article.