SMILES as an alternative to the graph in QSAR modelling of bee toxicity

Author:

Toropov Andrey A.,Benfenati Emilio

Publisher

Elsevier BV

Subject

Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology

Reference8 articles.

1. Council Directive Concerning the Placing of Plant Protection Products on the Market, 1991, 91/414/EEC. http://ec.europa.eu/food/plant/protection/index_en.htm.

2. A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus;Dellivers;SAR QSAR Environ. Res.,2001

3. Structure-toxicity modeling of pesticides to honey bees;Dellivers;SAR QSAR Environ. Res.,2002

4. A protocol to select high quality datasets of ecotoxicity values for pesticides;Roncaglioni;J. Environ. Sci. Health, Part B,2004

5. QSAR modeling of aldehyde toxicity by means of optimization of correlation weights of nearest neighboring codes;Toropov;J. Mol. Struct. (Theochem.),2004

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