Octanol-Water Partition Coefficient is a coefficient showing the partition of a solute between the two unmixable materials, octanol and water.
- MolInstincts: The Property value is estimated by the combination of fundamental thermodynamic theories, modern modeling approaches, QSPR (quantitative structure-property relationships) methods, and ANN (Artificial Neural Network) with over fitting prevention algorithm, utilizing the quantum chemical calculations results and molecular descriptors. The estimated value is finally determined after manual inspection.
Supplementary Explanation on Comment
Comment Meaning of Comment ≤ 0.1 0 ≤ abs error ≤ 0.1 ≤ 0.3 0.1 < abs error ≤ 0.3 ≤ 0.5 0.3 < abs error ≤ 0.5 ≤ 0.7 0.5 < abs error ≤ 0.7 > 0.7 abs error > 0.7 Exp. Data Unavailable Experimental Data are Unavailable
Where absolute error means the absolute value of (experimental value)-(calculated value).