cyp-3po β method report
OpenADMET CYP Inhibition Challenge, Regression Prediction track.
Submission macro MA-ST-RAE 0.4048.
| endpoint | ST-RAE | Spearman Ο |
|---|---|---|
| CYP1A2 | 0.4339 | 0.820 |
| CYP2C9 | 0.3469 | 0.862 |
| CYP2D6 | 0.4666 | 0.543 |
| CYP3A4 | 0.3718 | 0.863 |
Summary
An ensemble of 76 independently trained MolE graph-transformer checkpoints across six architecturally heterogeneous arms, spliced per endpoint, with location and spread calibrated against the leaderboard's own returns.
The full method report β data, architecture, ensemble, calibration, negative results and limitations β is being finalised and will replace this page before the end of the challenge.
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