Consensus fingerprints

The sequence motifs identified in this way may be different from the motifs/ fingerprints listed in the Prosite [31], Blocks [75], and especially PRINTS [33, 76] databases, which use single or multiple conserved regions as consensus signatures to describe families or subfamilies and which are used as automated diagnostic tools for inserting new members into the framework of the already classified members. 

MFP consensus profiles are obtained by comparing the bit settings for each active compound belonging to a specific activity class and identifying the bit positions that are set on in all the mini-fingerprints of the active compounds [Xue, Stahura et al, 2001a], The consensus profile is... 

Moreover, to enhance the probability of identifying compounds with similar activity by database searching, mini-fingerprints of all molecules are scaled by using a scaling factor applied only to consensus bits. The scaling factor is linearly weighted within a frequency interval (e.g., 0.8-1.0) as follows ... 

A major legal aspect is the adoption of standard methods for oil fingerprinting such as the ASTM consensus standards, because it facilitates acceptability of the findings as evidence in court cases. 

Briefly, DynaMAD is designed to map database compounds to activity-specific consensus positions in chemical space representations of stepwise increasing dimensionality [38] and ACCS-FP is utilized in conventional fingerprint search calculations using multiple reference compounds [61]. 

Di Giovanni, G.D., Watrud, L.S., Seidler, R.J., Widmer, P., 1999. Comparison of parental and transgenic alfalfa rhizosphere bacterial communities using Biolog GN metabolic fingerprinting and enterobacterial repetitive intergenic consensus sequence-PCR (ERIC-PCR). Mic. Ecol. 37, 129-139. 

Clustering by 2D fingerprints is a very common procedure, and yet there are still many unanswered questions, principally aroimd the choice of descriptor, and the selection of a statistically appropriate number of clusters. Wild and Blankley have looked at these issues and have come to some interesting conclusions MACCS-like keys are best for general diverse sets (e.g. corporate databases), whereas Daylight-like keys are the best for similar sets (e.g. combinatorial libraries) the best method for eluster-level selection is dataset-dependent. However, the Kelley method seems to have the best worst-case performance across the different datasets and deseriptors. Xue et al. have developed a method for using consensus... 

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