Digital Assays and Workflows

Reduce your drug discovery timelines and increase cost efficiencies by leveraging the power of digital assays and workflows.

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Accelerate your discoveries with digital assays

With the use of in silico assays, you can rapidly generate predictions across a large design space to identify the highest probability compounds prior to synthesis.

Reducing the number of compounds you need to synthesize and assay in the wet lab enables higher throughput and lower costs for your entire workflow.

By integrating digital assays into your workflow, you can expand your design space by 5 times and reduce your hit-to-lead and lead optimization timelines by at least 50%, allowing you to discover more - faster.

Our digital assay tools and workflows

Accurately compute binding affinities

Compute protein-small molecule binding affinities to near experimental accuracy using our free energy perturbation (FEP) potency assay, TandemFEP, which utilizes small molecule force field parameters rigorously derived from quantum mechanics calculations.

Predict ADMET with precision

Predict absorption, distribution, metabolism, excretion, and toxicity (ADMET) endpoints for all small molecule candidates using TandemADMET, built on machine-learning models with industry-leading accuracy.

Quickly enumerate novel candidates

Utilize the generative AI and library-based small molecule ideation in TandemGen to rapidly enumerate high-quality and novel small molecule candidates. Predict with confidence using our meticulously curated feature, TandemFilters, designed by our medicinal chemists, to ensure our generated molecules are chemically reasonable.

Exhaustively enumerate with the QuickCycleTM workflow

Exhaustively enumerate, evaluate, and synthesize the top analogs in your series in a single workflow that combines the power of TandemGen, TandemFEP, and combinatorial chemistry.

Identify new cores with the Core Hopper Workflow

Rigorously identify new cores for any chemical series in a single workflow, utilizing generative design from TandemGen and our proprietary CoreHop-FEP.

Predict high-probability ternary complex poses

Utilize our multi-tiered approach for accurate ternary complex structure prediction from individual protein and ligase structures with our ternary complex modeling platform (beta).

Reduce costs and accelerate discovery with virtual HTS

Screen billions of molecules against your protein binding pocket using a number of commercial and bespoke designed libraries with our proprietary AI-powered vHTS workflow.

Learn more about our digital assay tools and workflows

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Analyze structure-activity relationships

Combine computational and experimental data with our powerful analytics interface, TandemAnalytics, to derive dynamic structure-activity relationships for small molecules at the atomic level.

Leverage cutting-edge technology for deeper insights

By harnessing the power of digital analysis packages, you can generate more data than is possible from traditional wet lab assays alone. 

Our digital potency assays provide you with far more than just a single potency value per compound, expanding on this with trajectory movies from our computational microscope to give atomic insight into how the small molecules interact with proteins.

Power your discoveries with technology you can trust

We understand that it is critical for the technology you invest in to create a reliable foundation of data on which to base your research. That’s why we are dedicated to ensuring the predictions from all our digital assays and workflows achieve or surpass industry benchmarks for accuracy and reliability.

Choose the digital assay and workflow 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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FAQs

A digital assay in drug discovery is a high-throughput, automated test that uses advanced technology to investigate drug candidates, allowing researchers to rapidly generate predictions across a large design space to identify the highest probability compounds prior to synthesis.
Digital workflows streamline drug discovery by automating data analysis, enhancing collaboration, and integrating computational predictions with experimental data to accelerate decision-making and reduce reliance on costly lab experimentation.
Digital assays offer a vast increase in scalability, as well as higher sensitivity and precision in some cases. Utilizing digital assays in place of traditional assays for drug discovery can reduce the need for lab experimentation, lower costs, and dramatically increase throughput.
Yes! Digital assays and workflows can significantly accelerate the drug discovery timeline by automating data collection and analysis, increasing throughput, and improving accuracy. With TandemAI digital assays and workflows, you can expand your design space by 5 times and reduce your timelines by at least 50%.
The data quality and reproducibility are paramount to the success of any digital assay. At TandemAI, we understand how critical it is for your research that any technology you invest in is thoroughly validated and reliable so we ensure the predictions from all our digital assays and workflows achieve or surpass industry benchmarks for accuracy and reliability.
Integrating digital workflows into your current drug discovery pipeline can be a challenge but at TandemAI, we make the process seamless for you with expert support and a range of integration options available to suit your team’s needs.
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