Davies et al. · Journal of Open Source Software · 2022
Recurring live-route controls for the SMACT Composition Screening service. Records positive known-answer cases, negative plausibility cases, and request-boundary validation; outputs are rule-based chemical-plausibility candidates, not evidence of stability, synthesizability, or existence.
| case | status | elements | action_id | threshold | candidate_count | candidate_preview |
|---|---|---|---|---|---|---|
| Na-Cl known-answer control | pass | Na,Cl | 019fc413-fa53-7021-824a-256ab5f0dbc5 | 8 | 1 | NaCl |
| Ti-Ga-O bounded enumeration control | pass | Ti,Ga,O | 019fc414-10da-7960-b6f0-efc9c5f3b714 | 3 | 20 | Ti2GaO; Ti3GaO3; Ti(GaO)2; Ti2Ga2O3; TiGaO3; TiGaO2; TiGa2O3; Ti2GaO3; Ti3Ga2O3; TiGaO; Ti(GaO)3; Ti2Ga2O |
| Fe-Pt negative control | pass | Fe,Pt | 019fc414-1626-7ca4-8896-dc7c1f4c93b4 | 8 | 0 | null |