A Method for Describing the Molecular Electrostatic Potential in Determining Structure-Activity Relationship
Igor V. Svitanko, Mikhail I. Kumskov, Ivan L. Zyryanov, I. A. Suslov · Mendeleev Communications · 1994
Electrostatic complementarity is more important than geometrical complementarity in quantitative structure-activity relationship (QSAR) calculations. The similarity of molecular electrostatic potentials (MEP) (the occurrence of combinations of points possessing a definite electrostatic potential) describes the structure–odour relationship as a particular case of such calculations at a sufficient probability level.