CheMeleon Descriptor-based Foundation Model (Chemrop 2.2.1)
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | EGFR | r2 | 0.42920491247151304 |
| test | EGFR | pearsonr | 0.668874369743941 |
| test | EGFR | spearmanr | 0.4203508094200354 |
| test | EGFR | explained_var | 0.4298714549303937 |
| test | EGFR | mean_squared_error | 459.92868562977844 |
| test | EGFR | mean_absolute_error | 16.58655968763889 |