Development of a nano-QSAR model for predicting the toxicity of nano-metal oxide mixtures to <i>Aliivibrio fischeri</i>
Minju Na, Sang Hwan Nam, Kyonghwan Moon, Jongwoon Kim
Abstract
In this study, we developed nano-mixture QSAR models using molecular dynamic (MD) descriptors to predict the toxicity of MONPs to A. fischeri .
Topics & Concepts
Quantitative structure–activity relationshipNano-MetalOxideChemistryToxicityComputational chemistryCombinatorial chemistryStereochemistryOrganic chemistryMaterials scienceComposite materialComputational Drug Discovery MethodsElectrochemical Analysis and ApplicationsNanoparticles: synthesis and applications