MolHyb — ligand hybrid design
Fuse two active compounds inside the receptor pocket under real physics to generate new candidates.
AI Beta
Parent A
Parent B
Fusion settings
Expected output
· 50 novel SMILES
· Synthetic accessibility (SA) ≤ 4.0 filter
· Docking affinity in the chosen pocket
· Tanimoto similarity distribution vs. parents
· Auto-generated PNG · SDF · CSV
Recent runs
EGFR + BTK hybrid50
CDK4 + JAK225