Structure- and property-activity relationship models for prediction of microbial toxicity of organic chemicals to activated sludge.
作者： N. Nirmalakhandan , E. Egemen , C. Trevizo , S. Xu
关键词:
摘要: Two quantitative structure-activity relationship (QSAR) and two property-activity (QPAR) models reported in the literature for predicting toxicity of synthetic organic chemicals to activated sludge microorganisms are summarized compared. The QSAR were developed using solvatochromic parameters molecular connectivity indices; QPAR models, octanol-water partition coefficient aqueous solubility. Experimental data on 16 not used developing above compare evaluate predictive ability these QSAR/QPAR models. Based quality original their predictions, ease application, availability model parameters, indices log P appear be most suitable predictions.
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sci-hub.se 参考文章(23)
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