Schultz, T.W.; Sinks, G.D.; Cronin, M.T.D. Identification of Mechanisms of Toxic Action of Phenols to Tetrahymena pyriformis from Molecular Descriptors. In Quantitative Structure-Activity Relationships in Environmental Sciences; Chen, F.; Schüürmann, G., Eds.; SETAC Press; 1997.
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Toxicity data (log IGC50(-1)) for 198 phenols were obtained from the TETRATOX database. Based on·a series of 2-dimensional (2D) structural rules, mechanisms of toxic action (MOA) were assigned and a 3-dimensional (3D) toxic response surface evaluated. Log IGC50(-1) along with the distribution coefficient (log D) and the molecular orbital property, the lowest ...
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Villu Ruusmann
创建时间：
2012-05-23
