Medicinal Chemist

Support hit-to-lead and lead optimization with efficient synthetic planning for analog series.

SAR analog library route planning

During structure-activity relationship studies, you need routes for dozens of closely related analogs. Submit each analog to identify a common synthetic strategy — routes that share early intermediates enable parallel synthesis. Compare routes across the series to find a divergent-convergent strategy that maximizes the number of analogs from a single intermediate.

Rapid feasibility assessment of virtual hits

When docking or QSAR models produce new candidate structures, quickly triage synthetic feasibility before committing resources. Targets with short, high-confidence routes using available starting materials can advance immediately. Targets requiring novel chemistry or expensive reagents may need deprioritization or redesign — saving weeks of unproductive lab work.

Stereoselective route identification

For chiral drug candidates where stereochemistry is critical to activity, use the Ketcher editor to draw your target with explicit stereochemistry (wedge / dash bonds). The platform preserves chirality in SMILES notation, and the reference entries include procedures that address stereocontrol — helping you identify routes that produce the desired enantiomer or diastereomer.