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RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes

Jed Zaretzki, Patrik Rydberg, Charles Bergeron, Kristin P. Bennett, Lars Olsen, Curt M. Breneman. RS-Predictor Models Augmented with SMARTCyp Reactivities: Robust Metabolic Regioselectivity Predictions for Nine CYP Isozymes. Journal of Chemical Information and Computer Sciences, 52(6):1637-1659, 2012. [doi]

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Jed Zaretzki

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Patrik Rydberg

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Charles Bergeron

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Kristin P. Bennett

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Lars Olsen

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Curt M. Breneman

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