The Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor.

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第一作者： Alla P,Toropova

第一单位： Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156, Milano, Italy.

作者： Alla P,Toropova ^[1] ; Pablo R,Duchowicz ^[2] ; Laura M,Saavedra ^[2] ; Eduardo A,Castro ^[2] ; Andrey A,Toropov ^[1]

作者单位： Laboratory of Environmental Chemistry and Toxicology, Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Via La Masa 19, 20156, Milano, Italy. ^[1] Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CONICET, UNLP, Diag. 113 y 64, C.C. 16, Sucursal 4, 1900, La Plata, Argentina. ^[2]

关键词 Bioconcentration Factor CORAL software Index of ideality of correlation Monte Carlo method QSPR Replacement Method molecular descriptors

主题词模型, 分子(Models, Molecular);量化构效关系(Quantitative Structure-Activity Relationship);统计学(主题)(Statistics as Topic)

DOI 10.1002/minf.201900070

PMID 31943818

发布时间 2021-07-09

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