CardioSafe v1.1.0 — cardiac ion-channel safety benchmark

updated May 15

CardioSafe v1.1.0 artefacts: 5-seed v1.0+v1.1 ensemble weights + L1000 encoder, audit-clean splits + labels + supplementary, Gradio demo.

appliedscientific/cardiosafe

Tabular Regression • Updated May 15

Note 5-seed v1.0 and v1.1 paper-snapshot ensembles + L1000 expression encoder. v1.1 (audit-clean retrain) is the recommended ensemble. CC-BY-NC-4.0. Source: https://github.com/AppliedScientific/CardioSafe-benchmark
appliedscientific/cardiosafe-benchmark

Viewer • Updated May 15 • 1.34M • 76

Note 334,444 curated compounds × 8 sparse ion-channel labels (hERG / Nav1.5 / Cav1.2 / IKs) + four Tanimoto-controlled split configs + supplementary tables / notes / figure. CC-BY-4.0. Source: https://github.com/AppliedScientific/CardioSafe-benchmark
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CardioSafe

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hERG/Nav1.5/Cav1.2/IKs safety prediction from SMILES

Note Interactive Gradio demo — paste SMILES, get pIC50 + blocker CO for the four CiPA channels. Free CPU tier. Source: https://github.com/AppliedScientific/CardioSafe-benchmark