Accelerating Drug Discovery with AI
Advanced computational chemistry and molecular modelling platform. We turn compound ideas into testable, prioritised candidates - SAR, docking, library design and predictive modelling in one place.
Free calculators run through our site API · sign in for full access · paid plans unlock priority modelling.
Comprehensive CADD/AIDD services
Chemical intuition, cheminformatics, Computer-Aided Drug Design, AI-Guided Discovery, and modern modelling - working alongside your MedChem, DMPK and Biology teams.
SAR Analysis
Structure–activity relationships that guide the next round of synthesis.
Rational Design
Structure- and ligand-based design of efficacious, developable molecules.
Library Design
Focused libraries with optimal coverage of the right chemical space.
Modelling
Docking, pharmacophores, MD snapshots and free-energy thinking.
Cross-Functional
We plug into MedChem, DMPK, biology, assay and formulation workflows.
Fast Turnaround
Short, decision-ready cycles that keep synthesis moving.
Computational tools
Potency, solubility, lipophilicity and efficiency — computed live by the site server.
From idea to prioritised shortlist
1. Prepare
Curate structures, assays and constraints with you.
2. Model
Dock, score and profile ADMET-relevant properties.
3. Prioritise
Rank by potency, efficiency and developability.
4. Validate
You test — we learn from the readout and iterate.
Ready to accelerate your discovery project?
Book a free 30-minute consultation to discuss your modelling needs.
Schedule ConsultationPrefer email? team@resiliencediscovery.com