Rush: Augmenting Drug Discovery with Machine-Driven Superintelligence

Rush is an AI-powered drug discovery platform accessible to all scientists, using machine learning and computational chemistry. Accelerate your pharmaceutical research with intelligent molecular design, virtual screening, and predictive analytics. Free tier available.

Find and Evaluate Hits

Structure Prediction: Predict the 3D structure of biological molecules and their interactions — from individual protein folding to protein-protein, protein-peptide, and protein-ligand complexes.
Binding Site Prediction: Identify potential ligand-binding pockets on a protein surface using structure-based methods.
Virtual Screening: Quickly and cost-effectively evaluate hundreds of thousands of compounds against a biological target using computational models to identify promising candidates before lab testing.
Molecular Docking: Predict how a molecule will fit and interact within a protein's binding site, revealing potential binding strength and orientation.
Super Accurate Binding Affinity: Leverage quantum mechanical calculations to precisely estimate how strongly a molecule binds to its target, improving hit prioritization and lead selection.

Understand and Predict Activity

Patent SAR Extraction: Automatically mine patents and papers for structure-activity relationship (SAR) data, turning buried chemical insights into structured, searchable knowledge.
SAR Analysis: Analyze structure-activity relationship (SAR) data to uncover trends between chemical structure and biological activity, guiding lead optimization.
QSAR, Property Prediction, and Optimisation: Use quantitative structure-activity relationship models to forecast how structural changes influence a molecule's activity, and predict key properties to guide optimisation for potency, safety, and drug-likeness.
QM/MM Simulation: Combine quantum mechanics and molecular mechanics to accurately model chemical reactions or binding events at an atomic level within complex biological systems.

Design New Chemistry

Small Molecule Generation: Explore chemical space by generating novel compounds similar in structure to a chosen reference molecule.
Small Molecule Similarity Search: Find purchasable compounds with similar structures to a reference compound, uncovering potential analogs.
Automated Bioisostere Enumeration: Systematically swap parts of a molecule with known bioisosteric replacements — generating smart analogs that maintain activity while exploring new chemical space, improving potency, selectivity, or drug-like properties.

Why Choose Rush?

Rush speeds up all drug discovery researchers by combining cutting-edge artificial intelligence with user-friendly interfaces, making advanced computational chemistry tools accessible, automating important drug discovery workflows, and unlocking new capabilities. Rush is also the only way to access QDX's world record breaking quantum chemistry software - faster and larger than anything else by 1000x.

Our platform integrates state-of-the-art computational tools with an AI assistant, enabling scientists to accelerate their research without requiring computational expertise. Whether you're exploring new therapeutic targets, optimizing lead compounds, or predicting drug interactions, Rush provides the tools you need to make breakthrough discoveries in preclinical small molecule pipelines.

Create your free account today and experience the future of pharmaceutical research.

Get started with Rush and transform your drug discovery workflow with the power of AI.