Cluster-aware target evidence
Cluster-aware ligand profiles preserve target-internal chemotype evidence and help prioritize candidate protein targets from local scaffold support.
PharmTAP web server
Integrated target prediction and ADMET profiling for small molecules.
PharmTAP combines cluster-aware target evidence and molecular property prediction to support early pharmacology analysis, target prioritization and developability assessment from a single SMILES query.
Prediction services
Choose a module
3D shape-pharmacophore support
USRCAT adds a complementary three-dimensional shape-pharmacophore evidence axis to support scaffold hopping and low two-dimensional support scenarios.
ADMET property profiling
ADMET prediction summarizes absorption, distribution, metabolism, excretion, toxicity and physicochemical endpoints for early developability assessment.
DMPNN molecular representation
DMPNN models learn molecular graph representations and integrate descriptor information to support endpoint-level property prediction.
