GATv2 Architecture · 107,103 NCI ALMANAC Triplets
Precision Drug
Synergy Engine.
Predict dual-drug synergy, molecular docking affinity, and 6-axis ADMET pharmacokinetics in real-time powered by Graph Attention Networks.
800,000+
Drug Combinations
0.842
AUC-ROC Score
60
NCI-60 Cell Lines
< 180ms
Inference Time
⬡
GATv2 Graph Neural Network
Multi-head graph attention over molecular graphs. Trained on 107,103 NCI ALMANAC triplets.
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AutoDock Vina Docking
Molecular docking affinity scores with 5-pose binding mode analysis and RMSD metrics.
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6-Axis ADMET Profiling
Absorption, Distribution, Metabolism, Excretion, Toxicity, Bioavailability radar.
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FHIR R4 Integration
DiagnosticReport generation, hash-chained audit log, SMART on FHIR OAuth2.
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CDS Hooks
Real-time clinical decision support via medication-prescribe webhook integration.
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Bliss · CI · Dose-Response
Chou-Talalay CI, Bliss independence model, Hill equation dose-response tables.
Ready to predict synergy?
Enter SMILES notation, UniProt ID, and cell line — results in under 180ms.
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