Prediction of acute toxicity of phenol derivatives using multiple linear regression approach for Tetrahymena pyriformis contaminant identification in a median-size database

In this article, the modeling of inhibitory grown activity against Tetrahymena pyriformis is described. The 0-2D Dragon descriptors based on structural aspects to gain some knowledge of factors influencing aquatic toxicity are mainly used. Besides, it is done by some enlarged data of phenol derivati...

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Veröffentlicht in:	Chemosphere (Oxford) 2016-12, Vol.165, p.434-441
Hauptverfasser:	Dieguez-Santana, Karel, Pham-The, Hai, Villegas-Aguilar, Pedro J., Le-Thi-Thu, Huong, Castillo-Garit, Juan A., Casañola-Martin, Gerardo M.
Format:	Artikel
Sprache:	eng
Schlagworte:	ChEMBL Databases, Factual Dragon descriptor Linear Models Models, Theoretical Multiple linear regression Phenol Phenols - chemistry Phenols - toxicity QSTR Quantitative Structure-Activity Relationship Tetrahymena pyriformis Tetrahymena pyriformis - drug effects
Online-Zugang:	Volltext
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