Prediction of pesticide acute toxicity using two-dimensional chemical descriptors and target species classification.


Previous modelling of the median lethal dose (oral rat LD50) has indicated that local class-based models yield better correlations than global models. We evaluated the hypothesis that dividing the dataset by pesticidal mechanisms would improve prediction accuracy. A linear discriminant analysis (LDA) based-approach was utilized to assign indicators such as… (More)
DOI: 10.1080/1062936X.2017.1343204