Tools for discovery.
Explore our web applications for protein function, molecular properties, and reaction pathways. Built from our research, ready for yours.




Molecular properties · Drug discovery
ADMET
Start from a molecular SMILES to explore available property and toxicity predictions, with endpoint selection and results in one workspace.
Manuscript in preparation.
Explore the current web application below.

Reaction networks · Terpene chemistry
Terpene Pathway Explorer
Trace C15 carbocation pathways from a node ID or molecular structure. Explore routes back to their origins or forward to products, with ranked pathways and 3D structure views.
Manuscript in preparation.
From sequences to structures. From molecules to mechanisms.Explore our publications