Datasets:
| { | |
| "tiers_by_split": { | |
| "train": { | |
| "medium": 190, | |
| "easy": 344, | |
| "hard": 66 | |
| }, | |
| "dev": { | |
| "easy": 55, | |
| "medium": 24, | |
| "hard": 21 | |
| }, | |
| "eval": { | |
| "hard": 23, | |
| "easy": 83, | |
| "medium": 44 | |
| }, | |
| "stress": { | |
| "easy": 89, | |
| "hard": 27, | |
| "medium": 34 | |
| } | |
| }, | |
| "first_step_families": [ | |
| [ | |
| "alkylation / SNAr", | |
| 332 | |
| ], | |
| [ | |
| "one-reactant FGI", | |
| 244 | |
| ], | |
| [ | |
| "other", | |
| 160 | |
| ], | |
| [ | |
| "amide/ester coupling", | |
| 125 | |
| ], | |
| [ | |
| "reductive amination", | |
| 63 | |
| ], | |
| [ | |
| "Suzuki-type coupling", | |
| 46 | |
| ], | |
| [ | |
| "sulfonylation", | |
| 29 | |
| ], | |
| [ | |
| "Boc deprotection", | |
| 20 | |
| ], | |
| [ | |
| "urea / carbamate", | |
| 13 | |
| ], | |
| [ | |
| "Boc protection", | |
| 8 | |
| ] | |
| ], | |
| "points_rate": { | |
| "three_steps": 0.454, | |
| "no_close_train_target": 0.499, | |
| "uncommon_first_step": 0.224, | |
| "rare_leaf": 0.188 | |
| } | |
| } | |