Ligand-based virtual screening using binary kernel discrimination
نویسندگان
چکیده
منابع مشابه
Ligand-based Virtual screening using Fuzzy Correlation Coefficient
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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[1] R. Czerminski,A. Yasri, D. Hartsough, Quant. Struct.-Act. Relat., 20, 227 (2001) [2] A. Schwaighofer et al., J .Chem. Inf. Model., Web Release 1/23/07 [3] H. Fröhlich, J.K. Wegner, F. Sieker,A. Zell, (2006) [4] H. Kashima, K. Tsuda,A. Inokuchi, Proc. 20th Int. Conf. Mach. Learn. (2003) [5] X. Q. Lewell, D. B. Judd, S. P. Watson, M.M. Hann, J.Chem. Inf. Comp. Sci., 38, 511 (1998) [6] Quant. ...
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ژورنال
عنوان ژورنال: Molecular Simulation
سال: 2005
ISSN: 0892-7022,1029-0435
DOI: 10.1080/08927020500134177