announcementApr 5, 2026· SMA Research Platform
Multi-Fidelity Scoring Pipeline Live — Compound Ranking Active
#scoring#pipeline#READY#LIMK2#ROCK2#CORO1C
A multi-fidelity Bayesian compound scoring pipeline is live, ranking 27,299 compounds across 34 SMA targets.
4 tiers: Docking (w=0.15) → ADMET (w=0.25) → MD Stability (w=0.35) → Binding (w=0.25). Missing layers widen confidence intervals.
Lead compounds under validation (v2.1 pipeline):
- Fasudil → ROCK2 (score 0.383) — Only fully validated compound. 19 real DiffDock poses, preclinical evidence (Bowerman 2012).
- genmol_119_bbb_5 → LIMK2 (confidence +0.58) — Real lead, MD 100ns running. Supersedes bbb_0 and original genmol_119.
- Riluzole → SMN2 — Only validated DiffDock hit from 56-compound screen.
Correction (2026-04-06): Previous version claimed 4 READY compounds. Audit revealed 74 DiffDock tasks had environment bugs producing fake results. genmol_119 original is NOT LIMK2-selective. genmol_119_bbb_0 docking was invalid. All compounds now tracked through 10-stage v2.1 pipeline with quality gates. No compound has completed all stages yet.
Explore at Compound Pipeline.