Table 1.
Summary of Available Training Data for MCF7-Trained Classifiers
| MIE Name | MIE Active Profiles | MIE Active Chemicals | Exemplar Chemical Name | Exemplar Chemical DTXSID | Exemplar Chemical Support Level |
|---|---|---|---|---|---|
| ABCB1 (−) | 283 | 25 | Quinidine | DTXSID4023549 | 20 |
| ACE (−) | 57 | 6 | Fosinopril | DTXSID1023079 | 6 |
| A/B-CHE (−) | 50 | 7 | NA | NA | NA |
| ADRA1A (+) | 67 | 10 | Epinephrine | DTXSID5022986 | 10 |
| ADRA2A (+) | 58 | 7 | Epinephrine | DTXSID5022986 | 8 |
| ADRB-1/2 (−) | 67 | 8 | Nadolol | DTXSID3023342 | 5 |
| ADRB-1/3 (+) | 51 | 6 | Epinephrine | DTXSID5022986 | 8 |
| ADRB2 (+) | 55 | 9 | Epinephrine | DTXSID5022986 | 5 |
| ALOX5 (−) | 51 | 5 | MK 886 | DTXSID5041067 | 5 |
| APP (−) | 71 | 5 | NA | NA | NA |
| AR (−) | 56 | 5 | Progesterone | DTXSID3022370 | 7 |
| AR (+) | 52 | 8 | 17-Methyltestosterone | DTXSID1033664 | 10 |
| CA-9/12 (−) | 76 | 10 | 4-(2-Aminoethyl)benzenesulfonamide | DTXSID20188814 | 10 |
| CA-many (−) | 51 | 7 | NA | NA | NA |
| CA-1/2 (−) | 90 | 13 | (RS)-(+/−)-sulpiride | DTXSID1042574 | 36 |
| CYP19A1 (−) | 70 | 7 | Naringenin | DTXSID1022392 | 10 |
| CYP2D6 (−) | 52 | 5 | Quinidine | DTXSID4023549 | 34 |
| CYP3A4 (−) | 144 | 13 | Quinidine | DTXSID4023549 | 6 |
| DHFR/TYMS (−) | 56 | 6 | Methotrexate | DTXSID4020822 | 43 |
| DRD2 (−) | 118 | 14 | Haloperidol | DTXSID4034150 | 50 |
| DRD2 (+) | 125 | 15 | Dopamine | DTXSID6022420 | 26 |
| EGFR/ERBB2 (−) | 140 | 9 | Erlotinib | DTXSID8046454 | 55 |
| ESR-1/2 (−) | 68 | 5 | Tamoxifen | DTXSID1034187 | 30 |
| ESR-1/2 (+) | 145 | 12 | 17beta-Estradiol | DTXSID0020573 | 142 |
| FLT1/KDR (−) | 122 | 10 | Erlotinib | DTXSID8046454 | 10 |
| FLT3 (−) | 84 | 5 | NA | NA | NA |
| HDAC (−) | 174 | 10 | MS-275 | DTXSID0041068 | 37 |
| HMGCR (−) | 50 | 5 | Mevastatin | DTXSID4040684 | 14 |
| HRH1 (−) | 110 | 14 | Astemizole | DTXSID9020110 | 5 |
| HTR2A (−) | 67 | 8 | Haloperidol | DTXSID4034150 | 11 |
| JAK2 (−) | 54 | 5 | NA | NA | NA |
| KCNH2 (−) | 369 | 34 | Haloperidol | DTXSID4034150 | 14 |
| KIT (−) | 88 | 5 | NA | NA | NA |
| MAO-A/B (−) | 75 | 11 | Tranylcypromine | DTXSID2023694 | 10 |
| MAPK14 (−) | 78 | 5 | NA | NA | NA |
| MET (−) | 114 | 7 | Cabozantinib | DTXSID10233968 | 10 |
| MTOR/PI3K (−) | 204 | 12 | Everolimus | DTXSID0040599 | 5 |
| NR1I2 (+) | 50 | 6 | 17beta-Estradiol | DTXSID0020573 | 5 |
| NR3C1 (+) | 100 | 10 | Clocortolone pivalate | DTXSID0045460 | 5 |
| PDE3A (−) | 67 | 5 | Cilostamide | DTXSID3045140 | 5 |
| PDE4-A/B/D (−) | 56 | 5 | Piclamilast | DTXSID3040227 | 9 |
| PDGFRB (−) | 66 | 6 | Erlotinib | DTXSID8046454 | 9 |
| PPAR-A/D/G (+) | 137 | 16 | Ciglitizone | DTXSID0040757 | 38 |
| PTGS-1/2 (−) | 247 | 28 | Flurbiprofen | DTXSID0037231 | 14 |
| SCN-1/2-A (−) | 51 | 5 | Lidocaine | DTXSID1045166 | 5 |
| SCN5A (−) | 100 | 9 | Lidocaine | DTXSID1045166 | 6 |
| SLC22A-1/2 (−) | 63 | 7 | Quinidine | DTXSID4023549 | 14 |
| SLC22A6 (−) | 55 | 6 | Methotrexate | DTXSID4020822 | 6 |
| SLC6A-2/3/4 (−) | 192 | 18 | Nisoxetine | DTXSID0045175 | 11 |
| TOP2A (−) | 75 | 7 | Doxorubicin | DTXSID8021480 | 12 |
| TUB (−) | 104 | 8 | Vinblastine | DTXSID8021430 | 12 |