Two different strategies for finding the relative positions of maximum similarity between molecular electrostatic potential (MEP) distributions and for measuring their similarities were applied to several indole derivatives which are ligands of 5-hydroxytryptamine receptors. The first strategy takes into account the whole MEP distribution and allows one to discriminate between two groups of compounds according to their biological activity. In the second approach the MEP comparison is restricted to one plane which is considered relevant to receptor recognition. © 1992.
|Journal||Journal of Molecular Structure: THEOCHEM|
|Publication status||Published - 23 Apr 1992|