论文信息 - Molecular similarity based on electrostatic potential and electric field

Molecular similarity based on electrostatic potential and electric field

A new definition of molecular similarity in terms of electron density is proposed and a method for calculating similarity based on molecular electrostatic potential and molecular electric field introduced. It is applied to some simple isosteres.

Edward E. Hodgkin | W. Graham Richards | W. Richards | E. Hodgkin

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