Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection

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TETKO, Igor V., SUSHKO, Iurii, PANDEY, Anil Kumar, ZHU, Hao, TROPSHA, Alexander, PAPA, Ester, ÖBERG, Tomas, TODESCHINI, Roberto, FOURCHES, Denis et VARNEK, Alexandre, 2008. Critical Assessment of QSAR Models of Environmental Toxicity against Tetrahymena pyriformis: Focusing on Applicability Domain and Overfitting by Variable Selection. Journal of Chemical Information and Modeling. 22 septembre 2008. Vol. 48, n° 9pp. 1733-1746. DOI 10.1021/ci800151m.