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The relation between the two is E ea = −ΔE(attach). However, if the value assigned to E ea is negative, the negative sign implies a reversal of direction, and energy is required to attach an electron. In this case, the electron capture is an endothermic process and the relationship, E ea = −ΔE(attach) is still valid. Negative values ...
Affinity analysis falls under the umbrella term of data mining which uncovers meaningful correlations between different entities according to their co-occurrence in a data set. In almost all systems and processes, the application of affinity analysis can extract significant knowledge about the unexpected trends [ citation needed ] .
Machine-learning – Unlike these classical scoring functions, machine-learning scoring functions are characterized by not assuming a predetermined functional form for the relationship between binding affinity and the structural features describing the protein-ligand complex. [16] In this way, the functional form is inferred directly from the data.
The electron affinity (usually given by the symbol in solid state physics) gives the energy difference between the lower edge of the conduction band and the vacuum level of the semiconductor. The band gap (usually given the symbol E g {\displaystyle E_{\rm {g}}} ) gives the energy difference between the lower edge of the conduction band and the ...
Electron affinity can be defined in two equivalent ways. First, as the energy that is released by adding an electron to an isolated gaseous atom. The second (reverse) definition is that electron affinity is the energy required to remove an electron from a singly charged gaseous negative ion.
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.
Affinity describes how well a drug can bind to a receptor. Faster or stronger binding is represented by a higher affinity, or equivalently a lower dissociation constant. The EC 50 should not be confused with the affinity constant, K d. While the former reflects the drug concentration needed for a level of tissue response, the latter reflects ...
By inserting the energetic definitions of the ionization potential and electron affinity into the Mulliken electronegativity, it is possible to show that the Mulliken chemical potential is a finite difference approximation of the electronic energy with respect to the number of electrons., i.e., = = +