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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 level 70% 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)