A Straightforward Approach Similarity Searching

P positively charged, L lipophilic. The pharmacophore model on the right resulted from inspection of several other dopamine receptor ligands, which led to a single remaining donor site at one of the hydroxyl groups. 

a similarity search can be qualified by calculating the enrichment of active molecules within Fa over a random distribution of the active molecules  

Stars indicate the ranks occupied by known D2-receptor ligands. 

Of course, many other sets of generalized atom types have been described and may be used instead [41]. 

Extract the unweighted, hydrogen-depleted molecular graph. 

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The essential aspect of computer-based analysis of concerted evolution is the search for similarity between physically separated parts of a given sequence. Two approaches can be used for such searches graphical comparison of an entire sequence with itself (or with a carefully selected test sequence) or a straightforward listing of regions of sequence similarity... 

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