Millions of people are dying every year from diseases with drugs yet to be discovered. Our mission is to accelerate drug discovery pipelines with advanced technologies to help save lives.




De-novo Lead Discovery

DeepCure's AI algorithms analyze a trillion drug candidates from our proprietary virtual library and accurately point out the most promising ones while accounting for the dynamic nature of the target and optimizing the required ADMET properties.


AI-driven Lead Optimization

DeepCure's AI helps identify novel optimization steps that would escape the eyes of even the most experienced medicinal chemist. These steps improve the success rates of drug candidates in subsequent development stages while reducing time and cost.


Portfolio Diversification

Whether your lead series is hitting some unexpected barriers, or you are just interested in new approaches to increase the chances of success, we use our vast chemical space and cutting-edge AI to identify novel structures to diversify your portfolio.




Molecular Feature Extraction

We start by understanding composition and attributes of different proteins and small molecules using our fully automated pipelines, and convert molecular structures to DeepCure’s proprietary representation.



Using enumeration techniques and generative modeling, we have assembled a virtual library of over a trillion unique molecules. MolDB™ is designed to maximize scale, diversity, and synthesizability of our chemical search space.


AI Predictive Modeling

With unparalleled speed and scale, we utilize supervised and unsupervised multi-property models to design custom molecules for identified targets. Taking into account most of drug properties required for the optimal therapeutic agent.


Feedback Loop

We believe that iteration is the key to innovation. With a highly integrated workflow, we allow for rapid prototyping in a fraction of the time of a traditional development cycle.


New Drug Discovered

Through a collaborative process, innovative technology, and a mission oriented approach, we are developing new drugs to save millions of lives.


Reach out if you are interested in partnering with us.