HyperLab
Service Introduction
"It runs easily on computer." "It's easy to follow." "It has all the features." What is the name of this AI platform?
AI

Hyper Screening Guide : 3 Ways to Find Your Hit

HyperLab’s Hyper Screening, In-house Screening, and Hyper Screening X transform drug discovery. Hyper Screening delivers a 9% hit ratio, boosting efficiency in identifying active compounds.
작은 히츠 로고
HITS HyperLab Team
2025.06.2010min read
Hyper Screening Guide_ 3 Ways to Find Your Hit.png

Hello, we are the HITS HyperLab team.

One of the biggest hurdles in the early stages of drug discovery is identifying a hit compound. It can take months to screen millions of candidate compounds to find those capable of binding to the target protein, and traditional docking-based screening methods have shown limitations with an average hit ratio of less than 1%.

HITS' AI-powered drug discovery platform, HyperLab, can address this challenge efficiently. We offer three AI-driven virtual screening services tailored to your goals and budget:

1. Hyper Screening - Fast and Cost-Effective Commercial Library Virtual Screening

Hyper Screening is a service capable of screening 1 million molecules in 24 hours. The compound library used for virtual screening consists of commercially available compounds sourced from reputable suppliers such as Enamine and MolPort, ensuring practicality by enabling immediate experimental follow-up.

Internal HITS experiments have demonstrated a 9% hit ratio and the identification of hit compounds with binding affinities in the tens of nM range within 24 hours, validating both accuracy and performance. This AI virtual screening service is ideal for researchers seeking to rapidly secure initial hit compounds.

Summary

  • Target: Researchers seeking to rapidly identify initial hit compounds.
  • Advantages: Utilizes commercially available compounds from Enamine, MolPort, etc., enabling cost-effective hit identification.
  • Method: Conducts virtual screening of a pre-processed 1 million molecule library within 24 hours, providing binding scores and structural predictions for the top 500 molecules.
  • Price: $10,000 (*based on 1 million molecules)

2. In-House Library - Targeted Virtual Screening with High Precision

Appearance of Actual HyperLab Screening

For researchers seeking clearly defined objectives and high predictive accuracy in identifying hit compounds, we recommend virtual screening based on an In-House Library. If you already have your compound library, HyperLab can perform AI-driven virtual screening optimized for your target protein. HyperLab supports fast and accurate virtual screening using customer-provided libraries, with proven success, including significant results achieved with our client, MD Anderson Cancer Center.

At MD Anderson Cancer Center, a world-renowned cancer research institution in Houston, Texas, researchers struggled for five years to identify active compounds with sub-micromolar (μM) activity. However, with a single HyperLab screening, they identified a hit compound with a potency of 60 nM. This breakthrough reduced the drug discovery timeline by over 90%, demonstrating the transformative potential of AI-driven virtual screening in drug development.

3. Hyper Screening X - Ultra-Large Library Virtual Screening for Synthesizability, Diversity, and Novelty

While Hyper Screening processes 1 million molecules in approximately 24 hours and In-House Library screening requires an existing compound library, Hyper Screening X is the solution for those wondering, “Is 1 million enough?” or “What if I don’t have a library?”

Hyper Screening X is a service capable of virtually screening up to 11 trillion molecules using AI. Screening such an astronomical number of compounds is computationally infeasible with conventional methods, but HyperLab’s proprietary AI technology reduces what would take tens of thousands of years to mere days while ensuring high diversity and novelty. (Curious how AI accomplishes this in such a short time? Learn more in our previous blog post.)

It’s not just about the sheer number of compounds.

Through collaboration with eMolecules, a global leader in compound sourcing and synthesis, Hyper Screening X delivers data-driven screening that includes real-world synthesizability and availability.

eMolecules maintains a virtual compound library of 4 trillion molecules. In 2024, their acquisition of Synple Chem AG, an automated synthesis technology company, added 7 trillion more compounds, resulting in a massive 11 trillion-molecule library. This library includes practical, experiment-ready data with details on purchasability, stock availability, and shipping information.

Signing Ceremony Photo of HITS and eMolecules / Deren Koseoglu, Vice President of eMolecules (left), Woo-yeon Kim, CEO of HITS (right)

How to Use Hyper Screening X

Hyper Screening X can be executed with ease in just two steps:

  1. AI Model Training
    • The model is trained based on the target protein structure (e.g., PDB or AlphaFold).
    • Users can set the range of physicochemical properties for the generated molecules.
  2. Molecule Generation and Result Review
    • Once model training is complete, the AI automatically generates molecules.
    • The generation process can be monitored in real time, and generated molecules can be added to a cart for synthesis quote requests through eMolecules.

With just a few clicks, this automated workflow—from screening to selection to synthesis requests—maximizes both the speed and quality of early-stage drug discovery.

Summary

  • Target: Researchers seeking highly diverse and novel hit compounds, suitable for projects with flexible budgets
  • Advantages:
    • Virtual screening based on an 11 trillion-molecule ultra-large library
    • 85% synthesizability guaranteed, prioritizing commercially available molecules
  • Price: Consultation required

HyperLab: The Catalyst for Advancing the Drug Discovery Industry

We are currently navigating a time where good fortune and challenges intersect.

What once brought success may now yield different outcomes, and the same circumstances can lead to entirely new results depending on the moment.

Drug discovery is no exception. Throughout its long history, it has been marked by countless failures, trials, and moments of hope and achievement. Now, AI technology is becoming the key to overcoming complex and inefficient processes one by one.

HyperLab is a platform designed to streamline the cumbersome early-stage screening process, enabling researchers to access previously unattainable possibilities more quickly.

Without HyperLab, researchers would still be manually screening vast libraries of compounds, wasting valuable time. However, with the HyperLab platform, a new kind of "fortune" is beginning to take effect in research settings.

Developed in South Korea, HyperLab is a highly practical tool for domestic researchers. The innovation that began at MD Anderson Cancer Center is now achievable for other organizations as well, and HITS, through HyperLab, aims to be the catalyst driving the growth of the drug discovery industry.

We will continue to enhance HyperLab with more powerful and precise features, inspiring and delivering results to an ever-growing number of researchers. We hope this AI virtual screening guide has provided meaningful, albeit small, support for your research. We sincerely wish that HyperLab brings a stroke of good "fortune" to your endeavors.

AI-Powered Drug Discovery Platform: HyperLab

View List