A local QSAR model based on the stability of nitrenium ions to support the ICH M7 expert review on the mutagenicity of primary aromatic amines.
Ayaka FurukawaSatoshi OnoKatsuya YamadaNao TorimotoMahoko AsayamaShigeharu MutoPublished in: Genes and environment : the official journal of the Japanese Environmental Mutagen Society (2022)
This local QSAR tool will be useful as a quantitative support tool to explain the substituent effects on the mutagenicity of primary aromatic amines. By further refinement through method sharing and standardization, our tool can support the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) M7 expert review with quantitative indicators.