Hazard of pharmaceuticals for aquatic environment: Prioritization by structural approaches and prediction of ecotoxicity
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- 作者：Alessandro Sangion ; Paola Gramatica ; paola.gramatica@uninsubria.it" class="auth_mail" title="E-mail the corresponding author ;
- 关键词：APIs ; Active Pharmaceutical Ingredients ; AD ; applicability domain ; ATI ; Aquatic Toxicity Index ; PBT ; Persistence ; Bioaccumulation and Toxicity ; CAS ; Chemical Abstract Service ; CCC ; concordance correlation coefficient ; CEC ; Contaminants of Emerging Concern ; ECOSAR ; Ecological Structure Activity Relationships ; E-State ; electrotopological state ; ERA ; Environmental Risk Assessment ; EE2 ; estrogen ethinyl estradiol ; EMEA ; European Medicines Agency ; CSTEE ; European Union Commission's Scientific Committ
- 刊名：Environment International
- 出版年：2016
- 出版时间：October 2016
- 年：2016
- 卷：95
- 期：Complete
- 页码：131-143
- 全文大小：1300 K
文摘
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QSAR models to predict the ecotoxicity of pharmaceuticals in the three main aquatic trophic levels
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Ranking of APIs according to their potential cumulative toxicity for aquatic environment
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Aquatic Toxicity Index model to predict the aquatic toxicity of new APIs from molecular structure