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Machine-learning-assisted molecular design of phenylnaphthylamine-type antioxidants† Shanda Du,a Xiujuan Wang,b Runguo Wang, a Ling Lu,a Yanlong Luo, c Guohua You*d and Sizhu Wu *a Abstract In this study, a total of 302 molecular structures of phenylnaphthylamine antioxidants based on N-phenyl-1-naphthylamine and N-phenyl-2-naphthylamine skeletons with various substituents were modeled by exhaustive methods.
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