Flare Connect

Flare™ Connect, developed by Cresset, is a chemistry-aware collaborative platform designed to unite medicinal and computational chemists within a single, integrated environment. It enables cross-team cooperation and accelerates the design of new small molecules by combining 3D structural data, physico-chemical predictions, and assay results in one place, making it an ideal solution for drug discovery teams working across disciplines or in partnership with external collaborators.

By providing a shared workspace where designs, data, and insights can be visualised and discussed in real time, Flare Connect helps teams make more informed decisions at every stage of the molecular design process — from initial concept through to candidate triage.

Molecule Design and Visualisation

• Sketch designs using input from critical physico-chemical and 3D pose information
• Generate 3D poses through docking, covalent docking, and alignment to template ligands
• Fully configure the design environment using customisable plug-ins
• Connect to and transfer information from Flare™ or third-party tools using a simple API

Collaborative Design Capabilities

• Share designs and associated information through a single application
• Collaborate with coworkers in live shared sessions
• Communicate with colleagues using likes, tags, and comments as new molecules are created
• View designs in the context of the whole project, alongside physico-chemical predictions and 3D poses
• Gain valuable insight from synthetic chemists ahead of review meetings

Integrated Data Analysis

• Create custom data sets combining measured data from multiple proprietary sources, systems, and flat files
• Merge the latest assay results with design information in a single click
• Visualise theoretical and measured data as 2D and 3D scatter plots, box plots, histograms, and pie charts
• Present and interact with assay results alongside calculated physicochemical properties and 3D poses
• Use results to drive discussion and design decisions

Flare™ Integration

• Connect easily through the dedicated Flare Connect tab within Flare™
• Fetch design ideas into Flare™ using the API extension
• Carry out automated hit expansion to generate close analogue ideas
• Triage candidates using Flare™ FEP (Free Energy Perturbation) binding affinity predictions
• Send results back to Flare Connect in real time for immediate review by the project team

Flare™ Connect is built to integrate seamlessly with Cresset's Flare™ platform as well as third-party tools, enabling project teams to merge internal database data with new design ideas and computational results in a unified, customisable environment that supports the full small molecule discovery workflow.