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Fig. 9 | Journal of Cheminformatics

Fig. 9

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

Fig. 9

Comparison of the compound assignments in the uncertain class for MCP (at 80% confidence level) with QSAR for a the inactive and b the active compounds. The pink set represents the molecules (active or inactive) that are correctly predicted by QSAR, the green set represents the uncertain predictions from MCP and the brown set is the intersection between the sets, that is to say, the molecules predicted as uncertain by MCP but correctly predicted by QSAR

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