A FUNDAMENTAL SHIFT IN DRUG DISCOVERY DRIVEN BY AI

We've put technology to work to accelerate drug discovery in ways never possible before. And now we are democratising access to AI through our flagship platform RosalindAI

The world's largest repository of state-of-the-art AI models

By training hundres of ML models on millions of chemical data points and more than 50 chemical properties, we've created the world's largest repository of best-in-class AI models for chemical design and optimisation.

Our AI-driven insights help you increase the chances of success of your drug discovery programs while doing so faster and at a significantly lower cost.

FEATURES

SECURE

SCALABEL

NO-CODE

LOW-DATA

CUTTING-EDGE

SEAMLESS

VISUAL

INTUITIVE

Small data

Our methods predict properties critical for enabling and progressing drug discovery programs. We use active and transfer learning together with our proprietary data-efficient methods to ensure maximum information gain per sample. This ensures data efficiency and minimisation of lab experiment.

Sparse data

Our methods screen and optimise novel therapeutics for the specific target. We extract biological and contextual data from the crystal structure and the binding domain to explore a large search space relevant to the target of interest.  

Unbalanced data

Our methods predict properties critical for enabling and progressing drug discovery programs. We use active and transfer learning together with our proprietary data-efficient methods to ensure maximum information gain per sample. This ensures data efficiency and minimisation of lab experiment.

Seamless, scalable, efficient and secure AI platform for your R&D

Deploy

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With Rosalind,   you get access to a large collection of pretrained cutting-edge ML models trained on a large catalogue of libraries providing a 360  view of the chemical properties

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Customise

Rosalind  pretrained models can be easily refined on your internal libraries. This helps bootstrap your training process while ensuring best results for own experiments

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Train

Rosalind   automates the ML pipeline from data curation to model optimisation and reporting. You get access to traditional and advanced deep learning models without the development hassle

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Share

Share your models built on Rosalind   with your colleagues and collaborators to help accelerate drug discovery programs and drive innovation

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Discover the value of RosalindAI

Improving DEL screening

By training our models on entire DEL selection, we can significantly increase the hit rate and the diversity of the screening libraries. Our methods can be trained on extremely sparse DEL libraries and still learn generalizable patterns by which a compound can be classified as active on inactive on a target.

Using our computational approach, we can screen commercial libraries with billion of compounds in hours and create new focused libraries containing only the likely active compounds. 

This process drastically  increases the success rate of and reduces the time and the cost required to identify hit compounds.

Novel chemistry for PPI targets

Machine learning can design novel chemistry on challenging targets with unprecedented speed and efficiency. Working on challenging oncology target with protein-protein interaction pocket, RosalindAI designed a novel scaffold untested before in weeks. 

RosalindAI computational design-test process can start very limited data. We seeded Rosalind with the protein crystal structure and one fragment. Our automated insilico design process explored a virtual library of millions of compounds and screened these libraries to select three compounds for lab validation. 

 

RosalindAI completed the computational screening, identifying lab tested novel active scaffold in six weeks.

Accurate activity prediction

Rosalind   automates the ML pipeline from data curation to model optimisation and reporting. You get access to traditional and advanced deep learning models without the development hassle

Request a case study to explore how we help our partners address their challenges

Experience how platforms for drug hunters should feel like in the 21  century

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