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Table 2 Fraction of compounds assigned in the ‘both’ and ‘empty’ prediction classes by the MCP models at different confidence levels

From: Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Confidence level70%80%90%
‘Both’0.01 (± 0.04)0.08 (± 0.12)0.32 (± 0.21)
‘Empty’0.16 (± 0.08)0.04 (± 0.05)0.002 (± 0.009)