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The slopes from linear regression analyses between in vivo data and computational predictions.
| Slope of linear regression model (|m|) | |||
|---|---|---|---|
| Prediction | Balimane (%Abs) |
Bermejo (Papp) |
Irvine (%Abs) |
| LogK(ΔGtransfer(LDC)) | 0.09 | 2.46 | 0.12 |
| LogK(ΔGc/w) | 0.10 | 3.97 | 0.14 |
| LogKbarrier | 0.10 | 3.75 | 0.14 |
| LogPm | 0.10 | 3.73 | 0.14 |
| QPlogPo/w | 0.05 | 1.86 | 0.03 |
| LogQPPCaco | 0.02 | 0.47 | 0.02 |
| LogQPPMDCK | 0.02 | 0.40 | 0.02 |
| QP%HOA | 0.64 | 19.24 | 0.54 |
