Machine-learning-assisted molecular design of phenylnaphthylamine-type antioxidants

التفاصيل البيبلوغرافية
العنوان: Machine-learning-assisted molecular design of phenylnaphthylamine-type antioxidants
المؤلفون: Shanda Du, Xiujuan Wang, Runguo Wang, Ling Lu, Yanlong Luo, Guohua You, Sizhu Wu
المصدر: Physical chemistry chemical physics : PCCP. 24(21)
سنة النشر: 2022
مصطلحات موضوعية: Machine Learning, General Physics and Astronomy, Neural Networks, Computer, Physical and Theoretical Chemistry, Antioxidants, Hydrogen
الوصف: Efficient phenylnaphthylamine antioxidant molecular structures were constructed through machine learning and molecular simulation combined group contribution methods.
تدمد: 1463-9084
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c4ad6902bd5a74916d76c302e745261
https://pubmed.ncbi.nlm.nih.gov/35608602
حقوق: CLOSED
رقم الأكسشن: edsair.doi.dedup.....1c4ad6902bd5a74916d76c302e745261
قاعدة البيانات: OpenAIRE