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Interaction Pharmacophore Elements IPEs

Fig. 6. The spheres corresponding to positive interaction pharmacophore element (IPE) represent regions that will be beneficial to the QSAR model. The sphere corresponding to negative IPEs indicate the region(s) where the particular IPE will degrade the QSAR model. Fig. 6. The spheres corresponding to positive interaction pharmacophore element (IPE) represent regions that will be beneficial to the QSAR model. The sphere corresponding to negative IPEs indicate the region(s) where the particular IPE will degrade the QSAR model.
Then, the Main Distance-Dependent Matrix (MDDM), for each pair of Interaction Pharmacophore Elements (IPEs) is estimated. The IPEs are specific and independent groups representing molecule functionality (Table Numerical Entriesl). The seventh IPE type (HS) encodes information about the overall molecular shape since all the nonhydrogen atoms are considered. From the MDDM estimated for the HS-HS pair, a similarity measure with respect to the whole molecule is obtained. [Pg.965]

Table Numerical Entriesl Interaction Pharmacophore Elements (IPEs) used in 4D-Molecular Similarity Analysis. Table Numerical Entriesl Interaction Pharmacophore Elements (IPEs) used in 4D-Molecular Similarity Analysis.
See other pages where Interaction Pharmacophore Elements IPEs is mentioned: [Pg.429]    [Pg.163]    [Pg.46]    [Pg.46]    [Pg.364]    [Pg.429]    [Pg.163]    [Pg.46]    [Pg.46]    [Pg.364]    [Pg.61]    [Pg.61]   
See also in sourсe #XX -- [ Pg.429 ]



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