Ark-ADMET: endpoint-specific selection of molecular representations and hyperparameters for gradient-boosted ADMET models under the Therapeutics Data Commons benchmark protocol
Yuzhu Shi, Haoxi Luo, Feng Liu, Simiao Zhao
Ark-ADMET selects endpoint-specific molecular representations and hyperparameters for gradient-boosted ADMET models, achieving competitive performance without new architectures or shared representations.
bioRxiv · Nov 3, 2026 · PreprintBioinformatics