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Consensus activity cliffs

Medina-Franco JL, Martinez-Mayorga K, Bender A et al (2009) Characterization of activity landscapes using 2D and 3D similarity methods consensus activity cliffs. J Chem Inf Model 49(2) 477-491... [Pg.93]

The concept of data fusion has also been extended to activity landscape modeling." It is well known that activity landscapes will be largely influenced by the choice of the molecular representation that is used to define the chemical space. In an effort to address this issue, multiple structural representations are combined using data fusion to derive a consensus model of activity landscapes and identify consensus activity cliffs [143-145]. Consensus models are designed to prioritize the SAR analysis of activity cliffs and other consistent regions in the activity landscape that are captured by several structure representations. They are not meant to be a means for eliminating data by disregarding, for example, true activity cliffs that are not identified by some structure representations. [Pg.373]


See other pages where Consensus activity cliffs is mentioned: [Pg.44]    [Pg.54]    [Pg.216]    [Pg.101]    [Pg.44]    [Pg.54]    [Pg.216]    [Pg.101]    [Pg.475]    [Pg.213]   
See also in sourсe #XX -- [ Pg.216 ]




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