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Model

vidraft/aether-pharmaos-tox-ensemble

VIDRAFT Aether PharmaOS structure-only ensemble for ADMET/toxicity. #1 on Polaris tdcommons/ames (ROC-AUC 0.877).

Created on: June 19, 2026

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Community

This is a community model published by a contributor, not by the original creator.

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toxicityADMETamesensembleVIDRAFT

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README

VIDRAFT — Aether PharmaOS Toxicity Ensemble

Structure-only heterogeneous ensemble for ADMET / toxicity prediction by VIDRAFT (Aether PharmaOS).

Headline: #1 on the Polaris tdcommons/ames (Ames mutagenicity) leaderboard — ROC-AUC 0.877, surpassing methods that use external Cell-Painting (phenomics) data, using molecular structure alone.

Approach (high level): an ensemble of established model families over standard molecular representations (fingerprints + physicochemical descriptors), trained only on official train splits; hidden test scored blindly by Polaris. Detailed configuration is part of VIDRAFT's internal toolkit.

Computational triage tool; not for clinical decisions.