Efficient evaluation of multiple drug-like properties, at scale

Harness the capabilities of computational tools to streamline the multi-parameter optimization processes

Navigating the Complexities of Chemical Optimization in Drug Discovery

The optimization of chemical matter during hit to lead and lead optimization is a very slow and expensive process, often spanning several years and incurring expenses in the tens of millions. Traditional computational methods have shown limited efficacy in fostering novel ideation, as well as in predicting binding affinities and ADME properties. The crux of the challenge at this juncture lies in the simultaneous optimization of multiple parameters, a process that has historically been sluggish when reliant on conventional methodologies

Accelerating optimization through better designs and superior predictions, powered by TandemAI’s computational innovation

TandemAI’s computational tools provide industry leading predictivity for protein-ligand affinity as well as key ADME parameters that modulate drug-like properties.Our state-of-the-art Free Energy Perturbation (FEP) engine delivers unparalleled accuracy in affinity predictions for both peptide-protein and small molecule-protein complexes. These accurate and precise predictions are instrumental in steering the optimization of essential parameters, propelling compounds through the hit-to-lead and lead optimization phases of drug discovery.

For instance, our pioneering QuickCycle workflow represents the industry's first-of-it-kind integrated dry-wet cycle, utilizing our generative design tools to generate hundreds and thousands of potential ideas. These ideas are then rigorously assessed through our active learning-enhanced FEP. This innovative method is further augmented by our parallel synthesis capabilities.

This workflow significantly shortens the path from design to data generation for libraries of compounds, outpacing traditional methods and accelerating the drug discovery timeline.

Capabilities

FEP / Affinity Predictions for all structurally enabled systems

Protein-Ligand Docking and Dynamics to visualize protein flexibility

ADME Predictions to drive drug like properties

Generative Design to explore more chemical space than ever before

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Choose the computational drug discovery service that works best for your team

Available by FTE, where you pay for wet lab services and gain complimentary access to our proprietary computational tools or software license (SaaS), with optional GPU services, virtual private cloud (VPC) deployment, and expert application support.

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