Exact(9)
The enrichment factor reflects the amount of known related structures in the first x % of the ranked database.
In our study, we use the top 1%, 5% and 10% fractions of the ranked database to calculate the EF values.
Topolsky says that the impetus for This Is My Next was to improve on the aggregated review model of sites like CNET, which have long relied on a numerically ranked database to provide buying recommendations.
In spite of this, the reverse pharmacophore mapping approach, therefore, enables 11 of 16 experimentally confirmed tamoxifen targets to be retrieved within 10% of the ranked database, which is promising and reliable for a retrospective target identification case.
where E F is given for the specified percentage of the ranked database, Na c t i v e is the number of active compounds in the selected subset of the ranked database, N is the number of compounds in the subset, N a c t i v e is the number of active molecules in the data set and N a l l is the number of compounds in the database.
The assessment has been based on two of the most important criteria for the evaluation of docking methods, i.e., the ability of known ligands to enrich the top positions of a ranked database with respect to molecular decoys, and the consistency of the docking poses with crystallographic binding modes.
Similar(51)
Comparing the differences in enrichment factors of the ligand structures in the ranked databases (MCS and ECFP similarity rankings) with the respective extended variants (see Table 6), it is clear that the extension is beneficial in all cases.
Tags matching to Unigene clusters retrieved from low ranked databases (<67%; according to the rules set by CGAP) were not included in our comparisons.
DB-Engine Ranking [34] ranks database systems according to their popularity by using parameters such as the number of mentions on Web sites, general interest according to Google Trends, frequency of technical discussions on the Web, number of job offers, and number of professional profiles in which the solutions are mentioned.
Recall of actives in the top-1% of the ranked WOMBAT database using the Bayesian WSUM inference network and Tanimoto searches.
Finally, we sort S(A i ), A i ⊂Ω descendingly and get the ranked top database image as the search result.
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Justyna Jupowicz-Kozak
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