Method | Prediction set | Model targets | Confidence level (%) | Sensitivity | Specificity | CCR |
---|---|---|---|---|---|---|
QSAR | ChEMBL_23 | 296 | 0.78 (± 0.15) | 0.84 (± 0.14) | 0.81 (± 0.07) | |
QSAR | ChEMBL_24 | 296 | 0.61 | 0.80 | 0.71 | |
MCP_incl | ChEMBL_23 | 296 | 70 | 0.73 (± 0.03) | 0.73 (± 0.03) | 0.73 (± 0.02) |
MCP_incl | ChEMBL_23 | 296 | 80 | 0.84 (± 0.02) | 0.84 (± 0.03) | 0.84 (± 0.02) |
MCP_incl | ChEMBL_23 | 296 | 90 | 0.94 (± 0.02) | 0.93 (± 0.02) | 0.93 (± 0.02) |
MCP_incl | ChEMBL_24 | 296 | 70 | 0.41 | 0.45 | 0.43 |
MCP_incl | ChEMBL_24 | 296 | 80 | 0.63 | 0.67 | 0.65 |
MCP_incl | ChEMBL_24 | 296 | 90 | 0.85 | 0.87 | 0.86 |
MCP_excl | ChEMBL_23 | 296 | 70 | 0.72 (± 0.04) | 0.73 (± 0.03) | 0.73 (± 0.02) |
MCP_excl | ChEMBL_23 | 296 | 80 | 0.77 (± 0.11) | 0.77 (± 0.11) | 0.77 (± 0.11) |
MCP_excl | ChEMBL_23 | 296 | 90 | 0.65 (± 0.19) | 0.63 (± 0.20) | 0.64 (± 0.19) |
MCP_excl | ChEMBL_24 | 296 | 70 | 0.41 | 0.44 | 0.42 |
MCP_excl | ChEMBL_24 | 296 | 80 | 0.54 | 0.60 | 0.52 |
MCP_excl | ChEMBL_24 | 296 | 90 | 0.42 | 0.44 | 0.43 |