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Table 3 Classification of the targets according to their QSAR and MCP model performances

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

 

Confidence level (%)

Poor QSAR/poor MCP

Good QSAR/poor MCP

Poor QSAR/good MCP

Good QSAR/good MCP

‘Both’ included

80

0

0

45

505

‘Both’ excluded

39

67

6

438

‘Both’ included

90

0

0

45

505

‘Both’ excluded

44

298

1

207