Can the Monte Carlo method predict the toxicity of binary mixtures?
Sign Up to like & getrecommendations! Published in 2021 at "Environmental Science and Pollution Research"
DOI: 10.1007/s11356-021-13460-1
Abstract: Risk assessment of toxicants mainly is a result of experiments with single substances. However, toxicity in natural ecosystems typically does not result from single toxicant exposure but is rather a result of exposure to mixtures… read more here.
Keywords: binary mixtures; carlo method; method predict; monte carlo ... See more keywords
Using machine learning and quantum chemistry descriptors to predict the toxicity of ionic liquids.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of hazardous materials"
DOI: 10.1016/j.jhazmat.2018.03.025
Abstract: Large-scale application of ionic liquids (ILs) hinges on the advancement of designable and eco-friendly nature. Research of the potential toxicity of ILs towards different organisms and trophic levels is insufficient. Quantitative structure-activity relationships (QSAR) model… read more here.
Keywords: machine; quantum chemistry; chemistry; toxicity ... See more keywords