Problem
Role assignment is currently LLM-only and 52% of reagents have null role. Many organoid reagents have fixed, well-known biological roles that are deterministic from name alone.
Vocabulary established from paper analysis
| Chemical |
Synonyms |
Biological Role |
Pathway |
| Y-27632 |
H1152, ROCK inhibitor |
Prevents anoikis/dissociation |
Rho-kinase |
| CHIR99021 |
GSK3β inhibitor, WNT activator |
Self-renewal, WNT activation |
Wnt/β-catenin |
| Dorsomorphin |
BMP inhibitor, ALK2/3/6 inhibitor |
Neural/mesoderm induction |
BMP signaling |
| Noggin |
BMP antagonist (conditioned) |
Blocks osteogenesis |
BMP signaling |
| SB431542 |
ALK4/5/7 inhibitor, TGF-β inhibitor |
Promotes differentiation |
TGF-β pathway |
| A83-01 |
ALK5/4 inhibitor |
Modulates EMT |
TGF-β pathway |
| FGF2/bFGF |
Fibroblast growth factor 2 |
Proliferation, self-renewal |
FGF signaling |
| FGF10 |
Fibroblast growth factor 10 |
Branching morphogenesis |
FGF signaling |
| EGF |
Epidermal growth factor |
Progenitor expansion |
EGFR signaling |
| BDNF |
Brain-derived neurotrophic factor |
Neuronal maturation (late) |
TrkB pathway |
| NT3 |
Neurotrophin-3 |
Neuronal survival |
TrkC pathway |
| Valproic acid |
HDAC inhibitor, VPA |
Chromatin remodeling |
Histone acetylation |
| PGE2 |
Prostaglandin E2 |
Tissue regeneration |
Prostaglandin pathway |
| Nicotinamide |
Vitamin B3, NAD+ precursor |
Proliferation, Wnt modulaton |
NAD+ metabolism |
| N-acetyl-L-cysteine |
NAC, antioxidant |
Oxidative stress protection |
Glutathione synthesis |
| Matrigel |
BME, ECM |
3D matrix/basement membrane |
ECM signaling |
Work (for Pipeline Engineer)
- Commit
pipeline/reagent_roles.json with the vocabulary above (expand from ChEMBL/PubChem)
- In
ground_reagents.py (or equivalent), apply exact + fuzzy name matching to assign role before LLM fallback
- This reduces LLM calls and raises
role coverage from 48% toward 90%+
- Update
reagents.jsonl export to reflect improved coverage
Gate: role populated for ≥85% of reagents in the next pipeline run.
Problem
Role assignment is currently LLM-only and 52% of reagents have null
role. Many organoid reagents have fixed, well-known biological roles that are deterministic from name alone.Vocabulary established from paper analysis
Work (for Pipeline Engineer)
pipeline/reagent_roles.jsonwith the vocabulary above (expand from ChEMBL/PubChem)ground_reagents.py(or equivalent), apply exact + fuzzy name matching to assignrolebefore LLM fallbackrolecoverage from 48% toward 90%+reagents.jsonlexport to reflect improved coverageGate:
rolepopulated for ≥85% of reagents in the next pipeline run.