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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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Cheickna Cisse

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Open access Sep 2026

Design of New Alkylphenols with Theoretical Values of their Water/ Octanol Partition Coefficients

In our previous work, we established a predictive QSPR (Quantitative Structure-Property Relationship) model for the water/octanol partition coefficient, based on electronic energy (ET), LUMO (Lowest Unoccupied Molecular Orbital) energy, and the energy gap (ΔEgap). This model has been shown to be suitable for predicting...

Fatogoma Diarrassouba, Cheickna Cisse, K. Bamba et al. · 0 citations

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