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$Id$ Scoring - Calculate rank statistics Created by Sereina Riniker, October 2012 after a file from Peter Gedeck, Greg Landrum
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Imports: math, exceptions
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RIE original definded here: Sheridan, R.P., Singh, S.B., Fluder, E.M. & Kearsley, S.K. Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches. J. Chem. Inf. Comp. Sci. 41, 1395-1406 (2001). |
BEDROC original defined here: Truchon, J. & Bayly, C.I. Evaluating Virtual Screening Methods: Good and Bad Metric for the "Early Recognition" Problem. J. Chem. Inf. Model. 47, 488-508 (2007). |
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