Request demo
  • Flare
 ™

AI/ML

Enhancing efficiency, empowering decisions with AI tools that enhance productivity and simplify complex processes
All applications

Cresset AI combines trusted physics-based methods with cutting-edge machine learning to make drug discovery faster, smarter, and more accessible. From AI copilots that enhance usability, to generative chemistry for exploring novel chemical space, and highly predictive ADME models built by our Discovery Services team from your data, Cresset AI helps you innovate with confidence – while laying the foundations for future breakthroughs.

Related methods

AI Coding Assistant
Enhance your coding efficiency with low-code and no-code solutions
QSAR Models
Build predictive Quantitative SAR models for fast and accurate activity and ADME property prediction
MolGenAI
AI-driven new molecule generation

Related science resources

Application of generative AI to design covalent inhibitors of prolyl oligopeptidase
Generative chemistry is revolutionizing drug discovery, using AI to efficiently explore entirely new areas of chemical space in the search for...
Best practices for using the Flare™ AI Assistants
The introduction of AI assistants in Flare V11 reflects a broader objective: to streamline routine molecular modelling tasks, reduce efforts...
Prioritization of new molecule design using QSAR models – 2D- and 3D-QSAR studies
Introduction The viral main protease Mpro is a crucial enzyme for the replication of the severe acute respiratory syndrome coronavirus...
Getting the Most from Flare’s AI Copilots – Tips and Insights
AI-enabled assistants are now integrated into Flare – we demonstrate the Chat Model (doc-aware guidance for GUI features) and Code Model...
Flare™ V11 released: Generative AI tools, constrained Protein-Protein Docking, detached calculations and many more enhanced features
We are excited to announce the latest release of Flare V11, which brings a range of new features and significant enhancements designed to make computational...
Accelerating discovery of a METTL3 inhibitor through efficient in silico design and prioritization
Cresset Discovery provides molecular modeling expertise utilizing the application of proprietary in silico methods which, when combined with...
Webinar: Revolutionizing Drug Discovery with AI
Explore how Cresset AI is revolutionizing the drug discovery process by optimizing workflows, enhancing productivity and empowering decisions...
Podcast: Why AI won’t save the 90% of clinical trials that still fail
  Insights podcast series with BioSpace We’re delighted to be working with BioSpace as part of their Insights podcast series. Episode...
Enhancing QSAR Models: tackling descriptor intercorrelation with robust Gradient Boosting Machine Learning models in Flare™
In a typical drug discovery scenario, we often deal with large numbers of compounds, their associated properties, and activities gathered from...
Podcast: From Chat Bots to World Order
Insights podcast series with BioSpace We’re delighted to be working with BioSpace as part of their Insights podcast series. Episode 1 In...
Boosting computational chemistry in Flare with AI-Powered Assistants
Introduction In the fast-paced world of computational chemistry and drug discovery, efficiency and accessibility are key. At Cresset, we’...
Flare™ V10 released: Absolute Free Energy Perturbation Calculations, Protein-Protein Docking and more enhanced features
The new Flare release brings new and enhanced scientific features both for computational and medicinal chemists. These include significantly...