determination of the pKa value(s) of the substance. Electrochemical Polarized liquid interfaces have been used to examine the thermodynamics and kinetics of the transfer of charged species from one phase to another. Two main methods exist. The first is ITIES, "interfaces between two immiscible electrolyte solutions". The second is droplet experiments. Here a reaction at a triple interface between a conductive solid, droplets of a redox active liquid phase and an electrolyte solution have been used to determine the energy required to transfer a charged species across the interface. Single-cell approach There are attempts to provide partition coefficients for drugs at a single-cell level. This strategy requires methods for the determination of concentrations in individual cells, i.e., with Fluorescence correlation spectroscopy or quantitative Image analysis. Partition coefficient at a single-cell level provides information on cellular uptake mechanism. Prediction There are many situations where prediction of partition coefficients prior to experimental measurement is useful. For example, tens of thousands of industrially manufactured chemicals are in common use, but only a small fraction have undergone rigorous toxicological evaluation. Hence there is a need to prioritize the remainder for testing. QSAR equations, which in turn are based on calculated partition coefficients, can be used to provide toxicity estimates. Calculated partition coefficients are also widely used in drug discovery to optimize screening libraries and to predict druglikeness of designed drug candidates before they are synthesized. As discussed in more detail below, estimates of partition coefficients can be made using a variety of methods, including fragment-based, atom-based, and knowledge-based that rely solely on knowledge of the structure of the chemical. Other prediction methods rely on other experimental measurements such as solubility. The methods also differ in accuracy and whether they can be applied to all molecules, or only ones similar to molecules already studied. Atom-based Standard approaches of this type, using atomic contributions, have been named by those formulating them with a prefix letter: AlogP, XlogP, MlogP, etc. A conventional method for predicting log P through this type of method is to parameterize the distribution coefficient contributions of various atoms to the overall molecular partition coefficient, which produces a parametric model. This parametric model can be estimated using constrained least-squares estimation, using a training set of compounds with experimentally measured partition coefficients. In order to get reasonable correlations, the most common elements contained in drugs (hydrogen, carbon, oxygen, sulfur, nitrogen, and halogens) are divided into