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
基于量子化学计算的局部QSAR方法用于研究氮烯离子的稳定性，以减少标准QSAR系统对伯芳香胺致突变性的假阳性结果。
期刊:Genes and Environment
影响因子:1.9
doi:10.1186/s41021-024-00318-4
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
