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Different fingerprints are used to facilitate a similarity step for database mining, followed by a diversity step to assemble the final library.
We present a program for database mining of the exponentially increasing number of receptor-ligand complexes, in particular, performing a pocket similarity search and extracting meaningful fragments that can be useful for Fragment-Based Lead Discovery.
This chapter discusses and illustrates variable selection that rigorously validate quantitative structure activity relationship (QSAR) models with statistically significant external predictive power ultimately afford their application as reliable virtual screening tools for database mining or chemical library design.
The application of these principles to the development of the predictive QSAR models of anticonvulsant agents followed by the use of these models for database mining is shown to afford the discovery of novel anticonvulsant agents.
We conclude that DGSA is a versatile tool for database mining allowing efficient selection of uncharacterized genes for functional analysis.
Piatetsky-Shaprio (1991) first described strong rules for database mining and analysis using measures of interestingness and association [ 18].These itemset rules have been applied to many diverse disciplines, such as marketing [ 19] and computer science [ 20, 21].
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For bottle gourd and luffa, the NBS sequences were obtained by PCR amplification; for squash, the NBS sequences were derived from database mining; for melon and watermelon, 10 and 31 sequences were respectively drawn from PCR amplification, and the remaining 14 and 33 sequences were obtained by database mining.
This is a common feature of database mining of ESTs for identification of SSRs [ 16, 49].
For compound database mining, Chapter 8 describes statistical methods for ligand-based virtual screening.
OP searched for PEXEL export motifs, performed database mining for chromosomal localisation, analysed the conservation of the multigene families located in the vicinity of R45-FIKK like P. falciparum paralogs, generated the chromosomal map and investigated possible synteny in other species.
Several tools have been made available for the computational database mining of SSRs, reviewed in [ 17].
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