Flare™

Accelerate small molecule discovery with innovative ligand- and structure-based design approaches

Accelerate small molecule discovery

Flare is a complete CADD solution for the design, discovery and optimization of small molecules. Designed by discovery chemists, Flare joins simplicity of use with great 3D graphics and access to cutting-edge science and AI methods.

Enhance your molecular designs with advanced science

Computational and medicinal chemists value Flare as their ‘computational toolbox’. Easily installed as a desktop application, Flare enables you to apply a broad portfolio of ligand-based and structure-based methods to accelerate the design and optimization of novel therapeutics.

Best-in-class physics- and AI-based new molecule generation capabilities

Accurate activity predictions with a choice of methods, including Free Energy Perturbation

Flare provides access to dozens of innovative simulation, prediction, and analysis methods which deliver robust results

Intuitive Graphical User Interface reduces learning curve

Flare enables efficient molecule discovery and optimization workflows – data flows in, and insights and decisions flow out, empowering medicinal chemistry teams

Easy to integrate and connect to your internal workflows, thanks to Flare Python API

By focusing only on the very best molecules before lab experiments, you save time, energy, and lab resources, and maximize your chances of success in later-stage drug development

Explore Flare's capabilities to generate active molecules

AI/ML
Enhancing efficiency, empowering decisions with AI tools that enhance productivity and simplify complex processes
Binding affinity predictions
Find the molecules that matter with accurate binding affinity predictions
Compound idea generation
Compound idea generation is the process of designing new molecular structures likely to bind a biological target, using structural insights,...
Protein modeling
Create accurate models of protein structures and understand binding mechanisms
SAR Analysis
Summarize complex Structure-Activity Relationship in 3D and 2D
Molecular Dynamics Simulations
Study the conformational changes of proteins and assess the stability of protein-ligand complexes

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