AI-Designed. Physics-Validated. Clinically Informed.
CuraGen AI builds CureRx — a generative AI platform that designs, screens, and prioritizes novel small molecules for hard-to-treat diseases. We combine transformer-based molecule generation with ADMET prediction and structure-based validation (docking + molecular dynamics) to accelerate hit-to-lead discovery.
CureRx Generator
Transformer-based generative models produce diverse, target-focused libraries—optimized for novelty, drug-likeness, and synthesizability.
ADMET + Safety Screening
In-silico ADMET and toxicity models score absorption, clearance risk, and early safety—prioritizing candidates with CNS-relevant properties (including brain penetration) when needed.
Physics-Based Validation
Docking, molecular dynamics, and binding-energy estimation rank candidates by binding stability and conformational fit—helping prioritize the best molecules before synthesis.
About Computer-Aided Drug Discovery (CADD)
Modern drug discovery is increasingly computational. We use structure prediction, virtual screening, and generative AI to rapidly design drug-like molecules—then validate them using physics-based methods before synthesis. The result is faster iteration, lower cost, and higher-quality candidates earlier in discovery.
Our Vision
"We envisage a future in which a diagnosis of Advance Prostate Cancer pr Alzheimer’s disease leads not to uncertainty, but to a rapid, precision-engineered therapeutic solution delivered through data-driven science."
Engage With CuraGen AI
We welcome collaborations on challenging targets in CNS, oncology, and metabolic disease.
Investors – We are raising seed capital to advance CureRx and progress our lead programs toward preclinical validation.
Biopharma Partners – Partner with us to co-develop programs or license AI-designed compound series.
Academic Collaborators – Combine your disease biology expertise with our discovery engine to accelerate target validation and lead identification.
For inquiries, please contact sharad@curagen.ai.