Fuzzy virtual ligands for virtual screening
نویسندگان
چکیده
منابع مشابه
Consensus virtual screening approaches to predict protein ligands.
In order to exploit the advantages of receptor-based virtual screening, namely time/cost saving and specificity, it is important to rely on algorithms that predict a high number of active ligands at the top ranks of a small molecule database. Towards that goal consensus methods combining the results of several docking algorithms were developed and compared against the individual algorithms. Fur...
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Selection and identification of a subset of compounds from libraries or databases, which are likely to possess a desired biological activity is the main target of ligand-based virtual screening approaches. The main challenge of such approaches is achieving of high recall of active molecules. In this paper we presented fuzzy correlation coefficients (FCC), which is used as a similarity coefficie...
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ژورنال
عنوان ژورنال: Chemistry Central Journal
سال: 2009
ISSN: 1752-153X
DOI: 10.1186/1752-153x-3-s1-p63