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[pipeline] Commit reagent→role vocabulary table for rule-based role assignment #179

Description

@rhowardstone

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)

  1. Commit pipeline/reagent_roles.json with the vocabulary above (expand from ChEMBL/PubChem)
  2. In ground_reagents.py (or equivalent), apply exact + fuzzy name matching to assign role before LLM fallback
  3. This reduces LLM calls and raises role coverage from 48% toward 90%+
  4. Update reagents.jsonl export to reflect improved coverage

Gate: role populated for ≥85% of reagents in the next pipeline run.

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