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QSAR modeling with the electrotopological state indices: predicting the toxicity of organic chemicals

✍ Scribed by Jarmo Huuskonen

Book ID
117249182
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
81 KB
Volume
50
Category
Article
ISSN
0045-6535

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✍ Jarmo Huuskonen πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 71 KB

## Abstract A group contribution approach based on atom‐type electrotopological state indices for predicting the soil sorption coefficient (log __K__~OC~) of a diverse set of 201 organic pesticides is presented. Using a training set of 143 compounds, for which the log __K__~OC~ values were in the r