ChemScore

The calculation of the binding affinity with con.sidcration of all tbc.se effects for virtual screening is not possible. In order to circumvent thus difficulty, scoring functions arc used instead, c.g., the Liidi scoring function [80, or consensus scoring functions derived from FlevX score, DOCK score, GOLD score, ChemScore, or PMF score [81 ]. [Pg.611]

GoldScore ChemScore FHit Rag. MC,n, .lnB Torsion Angle Distributions... [Pg.77]

Chemscore Cscore Regression-based scoring function Suite of scoring functions (ChemScore, DOCK, FlexX, GOLD, PMF) and consensus scoring tool... [Pg.445]

Empirical methods PLP FlexX ChemScore ScreenScore HINT [80,95,96]... [Pg.4028]

Fig. 19 Enrichment plot for CDK-2 using all the possible scoring schemes. P, PMF D, Dockscore C, Chemscore F, FlexX-score G, Goldscore. (Copyright is permitted by the Copyright Office of the American Chemical Society).

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