Improved building up a model of toxicity towards Pimephales promelas by the Monte Carlo method

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• 作者：Alla P. Toropova^a ; ^{alla.toropova@marionegri.it} ; Andrey A. Toropov^a ; Maria Raskova^b ; Ivan Raska^b
• 关键词：QSAR ; Toxicity ; Pimephales promelas ; Monte carlo method ; CORAL software
• 刊名：Environmental Toxicology and Pharmacology
• 出版年：2016
• 出版时间：December 2016
• 年：2016
• 卷：48
• 期：Complete
• 页码：278-285
• 全文大小：1722 K
• 卷排序：48

文摘

QSAR model for the toxicity towards Pimephales promelas;. The model is based on the Monte Carlo method;. The statistical quality of the model is good;. The model is checked up with eight random splits into training and validation sets.