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. Author manuscript; available in PMC: 2013 Oct 25.
Published in final edited form as: Wiley Interdiscip Rev Comput Mol Sci. 2012 November/December;2(6):10.1002/wcms.1087. doi: 10.1002/wcms.1087

Figure 6.

Figure 6

Characterizing the smoothness of activity landscapes, by counting edges in the SALI network at varying SALI thresholds. A is derived from a binary fingerprint representation and appears to represent a “good” landscape. B represents curves from randomly selected 2D 4-descriptor representations. In general these representations lead to overly smooth or overly jagged landscapes. The light blue line represents the curve obtained from the fingerprint representation.