01
Drug Discovery

Discover better
pre-clinical candidates with XtalPi AI & Robotics

02
Hit optimization

Accelerate Hit-to-Lead through AI creativity, physics-based calculation, and lab automation

Advancing hits into leads with optimized potency, selectivity, and drug-like properties
Molecule and library design by generative AI (XMolGen) for enhanced scaffold novelty and compound diversity
Virtual screening by advanced physics methods (XFEP) to optimize potency and drug-like properties
Rapid and robust singleton and library synthesis through proprietary automation platform
03
Lead optimization

Automation-Powered Lead Compound Optimization

Refining lead compounds to improve efficacy, safety, and pharmacokinetics before advancing to clinical trials.

Automation-powered wet lab chemistry capabilities for rapid and robust SAR insight generation to guide future compound design
In-house vivarium to support in-vivo studies including PK/PD, efficacy, safety, dosing, and metabolism for advancing to clinical development
Advanced force field to accurately calculate free-energy perturbation for binding affinity predictions.

Your next success starts here

Harness the power of AI & Automation to discover new life-changing drugs, faster and more efficiently.

Search XtalPi

Development of small molecule selective inhibitors with XFEP
Discovery of Novel Non-covalent GPX4 Potent Hits with XFEP
Discovery of Novel Leads Targeting a Highly Flexible Allosteric Site with XMolGen and XFEP