Poly-X and ADMET-Σ: InsilicoΣ Trained ML Models
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File Size Description admet_Σ_models.tar.gz 154 MB ADMET-Σ trained sklearn RF+GB ensemble models for TOX21 (12 tasks) and ClinTox (2 tasks). ECFP4 2048-bit fingerprints, scaffold split. poly_x_models.tar.gz 83 MB POLY-X trained models: Tg RF+GB (ECFP4, PI1M dataset) + polyBERT DeBERTa embedding heads.
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Zenodo创建时间：
2026-02-28
