From: OPERA models for predicting physicochemical properties and environmental fate endpoints
Mode | Variables | Fivefold CV (75%) | Training (75%) | Test (25%) | |||
---|---|---|---|---|---|---|---|
Q2 | RMSE (°C) | R2 | RMSE (°C) | R2 | RMSEP (°C) | ||
No salts | 15 | 0.72 | 51.8 | 0.74 | 50.27 | 0.73 | 52.72 |
With salts | 16 | 0.74 | 50.2 | 0.75 | 49.12 | 0.74 | 52.27 |