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Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions
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Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions

Tetko, Igor V ; Novotarskyi, Sergii ; Sushko, Iurii ; Ivanov, Vladimir ; Petrenko, Alexander E ; Dieden, Reiner ; Lebon, Florence ; Mathieu, Benoit

Journal of chemical information and modeling, 2013-08-26, Vol.53 (8), p.1990-2000 [Peer Reviewed Journal]

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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
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A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

Novotarskyi, Sergii ; Sushko, Iurii ; Körner, Robert ; Pandey, Anil Kumar ; Tetko, Igor V

Journal of chemical information and modeling, 2011-06-27, Vol.51 (6), p.1271-1280 [Peer Reviewed Journal]

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