All Competitors

Molecular foundation model that turns SMILES into 2048-dimensional embeddings from multiple 3D conformations for ADMET and virtual screening.

Small-molecule ADME/Tox prediction from a SMILES string, covering 33 correlated ADMET endpoints in one multi-task model with conformal uncertainty.

Small-molecule drug discovery foundation model covering ADMET, retrosynthesis, drug-target activity, and molecular optimization in a 2.6B checkpoint.

ADMET property prediction for CYP inhibition, PXR activation, hERG, microsomal clearance, and permeability, all trained on public assay data.

Molecular graph transformer for ADMET property prediction, pretrained on 11M molecules under a joint SMILES-reconstruction and contrastive objective.

SMILES transformer pretrained to predict 113 RDKit molecular descriptors, giving embeddings that carry physicochemical properties into ADMET models.