Table 4.
Classifier Statistics for MIEs Modeled using MCF7 or PC3 Profiles
| MIE Name | MCF7 Accuracy | MCF7 MIE Active Profiles | MCF7 MIE Active Chemicals | PC3 Accuracy | PC3 MIE Active Profiles | PC3 MIE Active Chemicals | Accuracy Difference (MCF7 – PC3) | L2FC NX Value |
|---|---|---|---|---|---|---|---|---|
| AR (+) | 0.85 | 52 | 8 | 0.49 | 50 | 8 | 0.36 | 3.70 |
| ADRB-1/3 (+) | 0.73 | 51 | 6 | 0.51 | 52 | 7 | 0.22 | −1.58 |
| ALOX5 (−) | 0.72 | 51 | 5 | 0.58 | 50 | 6 | 0.14 | 0.00 |
| ESR-1/2 (+) | 0.81 | 145 | 12 | 0.67 | 148 | 12 | 0.14 | 5.43 |
| ADRA2A (+) | 0.65 | 58 | 7 | 0.51 | 51 | 7 | 0.14 | 0.00 |
| SCN5A (−) | 0.70 | 100 | 9 | 0.57 | 92 | 9 | 0.13 | 3.58 |
| PDE4-A/B/D (−) | 0.71 | 56 | 4 | 0.58 | 51 | 5 | 0.13 | −0.35 |
| CYP3A4 (−) | 0.66 | 144 | 13 | 0.56 | 121 | 12 | 0.10 | 0.00 |
| EGFR/ERBB2 (−) | 0.79 | 140 | 9 | 0.69 | 112 | 9 | 0.10 | 0.30 |
| ESR-1/2 (−) | 0.87 | 68 | 5 | 0.78 | 67 | 5 | 0.10 | 5.43 |
| ACE (−) | 0.53 | 57 | 6 | 0.44 | 54 | 6 | 0.09 | 0.49 |
| PDE3A (−) | 0.58 | 67 | 5 | 0.50 | 56 | 5 | 0.08 | −3.58 |
| SLC22A6 (−) | 0.56 | 55 | 6 | 0.48 | 52 | 6 | 0.08 | 3.17 |
| FLT1/KDR (−) | 0.70 | 122 | 10 | 0.63 | 92 | 10 | 0.07 | −2.81 |
| CA-1/2 (−) | 0.69 | 90 | 13 | 0.62 | 63 | 13 | 0.07 | 0.00 |
| CYP2D6 (−) | 0.65 | 52 | 5 | 0.59 | 50 | 5 | 0.06 | 0.42 |
| MET (−) | 0.81 | 114 | 7 | 0.75 | 66 | 7 | 0.06 | −4.60 |
| HDAC (−) | 0.82 | 174 | 10 | 0.77 | 153 | 10 | 0.05 | −0.71 |
| KCNH2 (−) | 0.60 | 369 | 34 | 0.57 | 304 | 33 | 0.03 | 2.00 |
| PDGFRB (−) | 0.83 | 66 | 6 | 0.80 | 54 | 6 | 0.03 | 0.00 |
| CYP19A1 (−) | 0.57 | 70 | 7 | 0.54 | 66 | 7 | 0.03 | 2.00 |
| TUB (−) | 0.96 | 104 | 8 | 0.94 | 66 | 8 | 0.02 | −1.29 |
| KIT (−) | 0.81 | 88 | 5 | 0.79 | 76 | 5 | 0.02 | 0.00 |
| PTGS-1/2 (−) | 0.62 | 247 | 28 | 0.61 | 227 | 28 | 0.01 | −0.58 |
| HTR2A (−) | 0.58 | 67 | 8 | 0.57 | 64 | 7 | 0.01 | 0.00 |
| DRD2 (−) | 0.58 | 118 | 14 | 0.57 | 114 | 15 | 0.01 | 1.58 |
| MTOR/PI3K (−) | 0.90 | 204 | 12 | 0.91 | 146 | 12 | −0.01 | −0.23 |
| SCN-1/2-A (−) | 0.65 | 51 | 5 | 0.66 | 50 | 5 | −0.01 | −1.32 |
| TOP2A (−) | 0.88 | 75 | 7 | 0.89 | 58 | 6 | −0.02 | 0.61 |
| HRH1 (−) | 0.53 | 110 | 14 | 0.55 | 94 | 14 | −0.02 | −5.04 |
| DRD2 (+) | 0.61 | 125 | 15 | 0.63 | 115 | 15 | −0.03 | 1.58 |
| FLT3 (−) | 0.74 | 84 | 5 | 0.76 | 60 | 5 | −0.03 | 0.00 |
| MAO-A/B (−) | 0.68 | 75 | 11 | 0.70 | 69 | 10 | −0.03 | −0.49 |
| AR (−) | 0.60 | 56 | 5 | 0.66 | 54 | 5 | −0.06 | 3.70 |
| CA-9/12 (−) | 0.59 | 76 | 10 | 0.66 | 50 | 10 | −0.07 | 1.82 |
| ABCB1 (−) | 0.54 | 283 | 25 | 0.61 | 236 | 25 | −0.07 | 0.00 |
| SLC6A-2/3/4 (−) | 0.58 | 192 | 18 | 0.68 | 178 | 18 | −0.09 | 0.00 |
| PPAR-A/D/G (+) | 0.64 | 137 | 16 | 0.74 | 129 | 16 | −0.10 | −2.00 |
| NR1I2 (+) | 0.60 | 50 | 6 | 0.70 | 67 | 6 | −0.10 | 0.00 |
| ADRB-1/2 (−) | 0.51 | 67 | 8 | 0.62 | 58 | 8 | −0.11 | −3.39 |
| NR3C1 (+) | 0.76 | 100 | 10 | 0.90 | 92 | 10 | −0.14 | −0.28 |
| DHFR/TYMS (−) | 0.43 | 56 | 6 | 0.58 | 54 | 6 | −0.14 | 0.57 |
| ADRA1A (+) | 0.47 | 67 | 10 | 0.62 | 63 | 10 | −0.15 | 0.00 |
| APP (−) | 0.42 | 71 | 5 | 0.60 | 70 | 5 | −0.18 | −0.04 |
| SLC22A-1/2 (−) | 0.61 | 63 | 7 | 0.78 | 55 | 6 | −0.18 | −1.70 |
| ADRB2 (+) | 0.53 | 55 | 9 | 0.80 | 50 | 9 | −0.27 | −6.73 |