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- W2088405377 abstract "Three‐dimensional quantitative structure–activity relationship analysis of a set of 79 analogs of γ‐secretase inhibitors was performed by molecular field analysis with genetic partial least squares method to investigate the substitutional requirements to derive a predictive model and for the favorable receptor–drug interaction that may be used for the designing of a novel γ‐secretase inhibitors. The developed molecular field analysis model has a good fit, with r 2 value of 0.952 and cross‐validated coefficient, r 2 cv , value of 0.931. Predictive ability of the developed model was further assessed using test set of 19 compounds and r 2 pred was found to be 0.665." @default.
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- W2088405377 date "2008-01-22" @default.
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- W2088405377 title "Three-dimensional Quantitative Structure–activity Relationship Modeling of γ-Secretase Inhibitors using Molecular Field Analysis" @default.
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- W2088405377 doi "https://doi.org/10.1111/j.1747-0285.2007.00622.x" @default.
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