Table 3.
Top 15 drugs predicted by the ET model that are unknown to be associated with peripheral neuropathy
| InChIKey | Name | Known | Prediction probability |
|---|---|---|---|
| NRUKOCRGYNPUPR-OQMCATNJSA-N | PLX-4720 (BRD-K16478699) | FALSE | 0.9757 |
| NRUKOCRGYNPUPR-OQMCATNJSA-N | Teniposide (BRD-A35588707) | FALSE | 0.9396 |
| STQGQHZAVUOBTE-INJOJONLSA-N | Daunorubicin (BRD-K91966436) | FALSE | 0.8372 |
| VSJKWCGYPAHWDS-FQEVSTJZSA-N | Camptothecin (BRD-K37890730) | FALSE | 0.7782 |
| FPIPGXGPPPQFEQ-OVSJKPMPSA-N | Retinol (BRD-K22429181) | FALSE | 0.7499 |
| LTMKESNXUBQKBP-UHFFFAOYSA-N | Lapatinib (BRD-M07438658) | FALSE | 0.7442 |
| HHJUWIANJFBDHT-KOTLKJBCSA-N | Vindesine (BRD-K59753975) | FALSE | 0.7429 |
| XECQQDXTQRYYBH-UHFFFAOYSA-N | Norcyclobenzaprine (BRD-K63165456) | FALSE | 0.6919 |
| FPIPGXGPPPQFEQ-UHFFFAOYSA-N | Tretinoin (BRD-K64634304) | FALSE | 0.6753 |
| XUBOMFCQGDBHNK-UHFFFAOYSA-N | Gatifloxacin (BRD-A74980173) | FALSE | 0.6338 |
| AJLFOPYRIVGYMJ-INTXDZFKSA-N | Mevastatin (BRD-K94441233) | FALSE | 0.6235 |
| KPQZUUQMTUIKBP-UHFFFAOYSA-N | Secnidazole (BRD-A70083328) | FALSE | 0.5208 |
| METKIMKYRPQLGS-LBPRGKRZSA-N | Atenolol (BRD-K44993696) | FALSE | 0.4875 |
| KGUMXGDKXYTTEY-FRCNGJHJSA-N | 4-Hydroxyretinoic acid (BRD-A96799240) | FALSE | 0.4861 |
| BUJAGSGYPOAWEI-UHFFFAOYSA-N | Tocainide (BRD-A92670106) | FALSE | 0.4753 |