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In EON [33], also from OpenEye Scientific Software, the Poisson-Boltzmann equation is solved to calculate the electrostatic potential on the nodes of a 3 D grid constructed around a molecule. The molecule has MMEE94 nuclei-centered charges assigned. The OpenEye Electrostatic Tanimoto (OEET) similarity is given by... [Pg.371]

OEST refers to OpenEye Shape Tanimoto, OECS to OpenEye ComboScore, and OEET to OpenEye Electrostatic Tanimoto. [Pg.373]

See other pages where OpenEye Electrostatic Tanimoto is mentioned: [Pg.372] [Pg.372] [Pg.372] [Pg.372] [Pg.167]