Fingerprint-based detection of acute aquatic toxicity
نویسندگان
چکیده
منابع مشابه
Fingerprint-based detection of acute aquatic toxicity
In this work we show the effectiveness of 2D structural fingerprints in the prediction of aquatic toxicity of chemical compounds, creating a self-contained system for structure-based aquatic toxicity classification. Using the data from the U.S. Environmental Protection Agency Fat Head Minnow (EPA-FHM) dataset [1] we build a nonlinear RBF SVM [2] classifier that distinguishes acutely toxic compo...
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ژورنال
عنوان ژورنال: Journal of Cheminformatics
سال: 2010
ISSN: 1758-2946
DOI: 10.1186/1758-2946-2-s1-p46