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Diagram depicting a representative pan-assay interference compound. The drug-like molecule specifically interacts with target B, but the PAINS-like compound non-specifically interacts with multiple targets
In thermodynamics, an activity coefficient is a factor used to account for deviation of a mixture of chemical substances from ideal behaviour. [1] In an ideal mixture, the microscopic interactions between each pair of chemical species are the same (or macroscopically equivalent, the enthalpy change of solution and volume variation in mixing is zero) and, as a result, properties of the mixtures ...
Electroanalgesia is a form of analgesia, or pain relief, that uses electricity to ease pain and belongs to a type of neurotherapy.Electrical devices can be internal or external, at the site of pain (local) or delocalized throughout the whole body.
Coulometry uses applied current or potential to convert an analyte from one oxidation state to another completely. In these experiments, the total current passed is measured directly or indirectly to determine the number of electrons passed. Knowing the number of electrons passed can indicate the concentration of the analyte or when the ...
IFF includes a physical-chemical interpretation for all parameters as well as a surface model database that covers different cleavage planes and surface chemistry of included compounds. The Interface Force Field is compatible with force fields for the simulation of primarily organic compounds and can be used with common molecular dynamics and ...
Hence, it may struggle to provide accurate thermodynamic parameters for slow kinetic processes with long time constants, as these interactions may be masked by baseline noise and variability. [3] On the other hand, high-affinity interactions can be challenging to measure if they take several minutes or longer to fully develop, or if the ...
Electroanalytical methods measure the electric potential in volts and/or the electric current in amps in an electrochemical cell containing the analyte. [1] [2] These methods can be categorized according to which aspects of the cell are controlled and which are measured.
Ligand efficiency is a measurement of the binding energy per atom of a ligand to its binding partner, such as a receptor or enzyme. [1]Ligand efficiency is used in drug discovery research programs to assist in narrowing focus to lead compounds with optimal combinations of physicochemical properties and pharmacological properties.