AI-powered Drug Discovery Platform

Our technology uses deep learning neural networks to perform structure-based predictions which can screen millions of chemical compounds to select those that are most likely to bind a target protein with high affinity and high specificity.

Application of our technology includes discovering novel drugs, fast-tracking drug discovery, optimizing lead compounds, repurposing medicines. Deep Molecule can help researchers pursue projects at a fraction of the cost, time, and resources of traditional approaches.

DeepMolecule Platform
DeepMolecule DTIS

Hit Discovery


We use DeepMol platform to explore the chemical space around a handful of chemical scaffolds identified in hit discovery and using our technology to generate more novo molecules for each chemical scaffold. We will screen new molecule data using DeepMol and help you build a focused library for lead optimization.

DeepMol Virtual Screening


We can identify hit compounds for your target protein and then help you develop a focused library of quality leads. DeepMolecule platform will greatly reduce your R&D costs and speed up drug development.

DeepMed Drug Properties Prediction


Our model DeepMed has the ability to calculate and predict multiple attributes of small molecules with unprecendented accuracy, from activity to toxicity. Most importantly, we can filter and optimize molecules based on the attributes you desired.

DeepNovo Compound Generation


DeepNovo is an AI-based de novo design model, Deepnovo generates a large number of novel molecules at superfast speed, efficiently explores unknown druggable chemical space, and increases the novelty of molecules; these small molecules will be further optimized with desired properties and finally reinforces your in-hource coumpound.