In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach
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DOI: 10.3390/toxics10120746
Abstract: In this work, a dataset of more than 200 nitroaromatic compounds is used to develop Quantitative Structure–Activity Relationship (QSAR) models for the estimation of in vivo toxicity based on 50% lethal dose to rats (LD50).… read more here.
Keywords: svr models; toxicity nitroaromatic; toxicity; silico prediction ... See more keywords