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ChemScore empirical scoring

A list of the most common and most recent empirical scoring functions described in the literature is provided in the Appendix (Appendix A Sofiware Overvie v, Section Scoring functions ). It should be noted that some of the functions listed there exist in different software implementations (as, for example, ChemScore). Furthermore, a single name may represent multiple function variants developed by the same authors (as, for example, in the case of X-Score and SFCscore). The list also includes functions that contain force field terms, but since these are multiplied by a weighting coefficient calibrated on experimental affinities, the functions should be classified as empirical (occasionally, they are referred to as semiempirical scoring functions). Finally, some of the functions (e.g., ScreenScore) follow a consensus scoring approach (as discussed in detail in Section 7.4.3), which means that the ultimate score is obtained from the combined application of at least two functions. [Pg.190]

A) Empirical SF AI Score AutoDock3 SF AutoDock4 SF ChemScore eHITS SF... [Pg.498]


See other pages where ChemScore empirical scoring is mentioned: [Pg.341]    [Pg.443]    [Pg.443]    [Pg.5]    [Pg.34]    [Pg.369]    [Pg.415]    [Pg.280]    [Pg.271]    [Pg.380]    [Pg.444]    [Pg.181]   
See also in sourсe #XX -- [ Pg.310 ]

See also in sourсe #XX -- [ Pg.310 ]




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