AI-Powered Virtual Screening for Smarter and Faster Drug Discovery
Overcoming the limitations of structural prediction for target proteins, this service seamlessly supports the development of First-In-Class proteins. Determining protein structures experimentally is time-consuming and expensive, making it impractical to gather experimental data for all proteins. Therefore, drug development for proteins without experimental data can be difficult. Our proprietary AI-based structural prediction technology utilizes a cutting-edge 3D-pocket molds creation process, enabling us to quickly and efficiently generate diverse 3D models of protein pockets. This unique approach significantly enhances the diversity and speed of virtual screening, ultimately increasing the likelihood of discovering novel drug candidates.
Over 10 billion compounds are screened in just two hours to rapidly identify optimal drug candidates, speeding up research and development and providing opportunities to gain a competitive edge in the market. A vast compound library, including diverse scaffolds, is used to quickly acquire high-potential candidates. The AI system selects the best combinations without human bias, and readily purchasable compounds and clear internal criteria are applied to help researchers focus on the most promising candidates, thus reducing drug development time and costs.
References
1. Target proteins well-characterized in disease mechanisms: Signal Transduct Target Ther. 2024 Feb 26;9(1):47. doi: 10.1038/s41392-024-01750-2.
2. Compound Libraries: Drug Discov Today. 2019 May;24(5):1148-1156. doi: 10.1016/j.drudis.2019.02.013. Epub 2019 Mar 7.
High Throughput Screening
Obtain the top 1,000 +/- results within 2 hours
R&D Cost Reduction
Substantially reduce research costs by reducing the number of compounds that need to be tested experimentally
Detailed Prediction
The utilization of selected compounds contributes to a higher probability of experimental success
Easy Access
Simply connect to the internet to start screening
Choose Target Protein
Virtual Screening
Check & Download Results
LM-VS™ Service Improves Screening Accuracy via Iterative Learning and Verification, Boosting Drug Development Success Probability.
Upon selecting a target protein for service initiation, LM-VS™ activates a system to screen Pre-HITs from a 10 billion compound library. This process iteratively progresses through 1st, 2nd, 3rd, ..., Nth rounds, continuously improving the accuracy of results at each round (2 hrs). At the end of each round, Pre-HIT candidates are selected considering diverse key screening factors including DKRP, and 1,000 compounds are chosen for the next round of learning.
Additionally, the following optional enhancements for accuracy improvement are offered upon request:
Advanced Option: DeepMatcher® Platform - This option provides more accurate HIT candidates reflecting physiological conditions within 2 weeks by conducting evaluations of binding stability, monitoring conformational changes, and calculating binding energies.
Promotion Run
$
Conduct 5 rounds for the price of 1 basic round
Limited to one promotion per target protein
Basic Run
$
High Throughput Screening
Identification of Compounds
Sampling Cpds 10 Billion Library
1,000 +/- Results Extracted
High-Accuracy Pre-HIT Candidates
Flexible round selection available
Enterprise
Sampling Cpds 10 Billion Library
Infinite Runs LM-VS™
Identification of Best Compounds
DeepMatcher® Fine Tuning (AI-HIT)
Browse through these FAQs to find answers to commonly asked questions.