Incorporate Cutting Edge AI Into Your Drug Discovery

ArtemisAI Accelerate Discovery

Welcome to the future of artificial intelligence (AI) in drug discovery, where leading-edge AI technology meets medicinal chemistry expertise. ArtemisAI, X-Chem’s revolutionary no-code platform, is meticulously engineered to get AI directly in the hands of chemists. Give your program a competitive edge by pioneering novel chemistry, fostering rapid innovation and identifying potential liabilities early in the design-make-test-analyze (DMTA) cycle.

Why Choose ArtemisAI?

At X-Chem, we strive to be at the forefront of technological advancement and we understand the strategic advantage of leveraging your in-house chemistry knowledge. 

Imagine having a team of dedicated data scientists working in tandem with every chemist … that’s ArtemisAI. Give your chemists the tool they need to innovate rapidly by putting machine learning at their fingertips.

ArtemisAI’s Extraordinary Benefits 

  • ArtemisAI is easy to use: it’s built for chemists by data scientists. No prior data science knowledge is necessary
  • You can build your own models with just two columns — a chemical structure and a value to predict, ArtemisAI transforms your high-value data into actionable insights in mere hours 
  • You get access to pre-trained models validated by our medicinal chemistry and DEL experts: 
    • ADMET models: accelerate your DMTA cycle   
    • On-DNA reactivity models: maximize quality of your DEL libraries
    • DEL HitID models: apply ML from your X-Chem DEL screens throughout the life of your programs

Capture different levels of molecular information (Global + Local)

ArtemisAI Searches Comprehensively for the Best Models for Each Data Set

ArtemisAI consists of mulitple representations and many different ML methods.

Each virtual ML training process outputs a pool of models, each model is the result of hyperparameter tuning of around 350 experimental variations.

ArtemisAI is supported with HPC and scalable infrastructure to enable training completion in days.

Get the Most Out of Your Data

ArtemisAI simplifies the most complex computational tasks. Our pragmatic approach to machine learning comes alive with just a few clicks: 

  • Load training data — your data, your way 
  • Explore a diverse set of chemical representations and modeling approaches to leave no stone unturned. 
  • Apply your models to your designs and any virtual molecule catalogs through every stage of your program.  
  • Benefit from our custom clustering algorithm to drive diversity during early hit exploration.

Unlock Interactive Design to Optimize Your Drug Designs

With our interactive design feature, draw or paste a structure in ArtemisAI and get instant feedback on your proposed molecules to guide your innovation process.

Innovate Faster With MPO

Let ArtemisAI innovate for you. Input your starting points (e.g., fragments) and select your desired optimization parameters. ArtemisAI will propose de-novo molecules, thus exponentially augmenting chemistry options to innovate and advance your quest for ideal candidates.

Tested, Trusted and Supported 

  • ArtemisAI is tried and tested by a battery of seasoned medicinal chemists and AI experts and is continuously enhanced with the latest chemistry-validated AI approaches
  • ArtemisAI comes with dedicated support and upfront user training, ensuring your team’s success in harnessing its full potential
  • X-Chem uses ArtemisAI to drive all ML-based client projects, including HITMiner

Our Proven Impact

“Machine learning on DNA-encoded libraries: A new paradigm for hit-finding” — In collaboration with Google Research, we developed the first effective machine learning platform based on DEL selection data. The platform predicted highly potent small molecule inhibitors within a virtual library of commercial compounds across diverse protein targets.

Read the paper >  

“Discovery of nanomolar DCAF1 small molecule ligands” — Our innovative approach used DEL technology, similarity search and machine learning to discover the first nanomolar ligand for DCAF1, a substrate receptor for E3 ligase.

Read the paper > 

Unlock the Future With ArtemisAI

Experience the transformative potential of ArtemisAI, a groundbreaking drug discovery AI platform designed to unlock insights, accelerate hit-to-lead optimization and elevate your drug discovery endeavors.

Embrace the future now with ArtemisAI:
The next generation of AI-powered drug discovery platforms.