Deep MedChem's CRO Services

Virtual Screening | Mapping Chemical Space | QSAR | ADMET | Electrostatics

  • Do you need to accelerate assets in your pipeline?
  • Traditional methods of database screening are time-consuming and may not yield the best quality candidates, especially for limited datasets.
  • This creates the need for efficient, accurate, and user-friendly AI/CADD tools and expert services to enhance your drug discovery process.

We Are The Solution For You

  • Deep MedChem’s AI expert services and platform for drug discovery, CHEESE, are the right toolkit to accelerate your early phase drug discovery workflows.
  • You are not left alone with the tools as we offer expert services to ensure you achieve the best results in the shortest time frame.

Success story

  • With a pharmaceutical partner we showcased the remarkable capabilities of our team and tools.
  • Objective: To utilize a limited dataset of structures with evaluated activity for a specific target and screen a 40M subset of the Enamine database for additional promising candidate structures.
  • Traditional Approach: Screening the database with a docking software—a lengthy process.
  • ‍Our Solution: Build a predictive model using the measured dataset to filter the molecular database, selecting higher-quality candidates.

Results Achieved

  • Improved Virtual Hit-rate in Validation: Successfully validated structures increased by 147 times in subsequent steps (virtual docking to a target).
  • Diversity Enhancement: Variability of clusters increased by 3 times and of scaffolds by 20 times.
  • Faster Time to Results: Screening time dramatically reduced from 200 days to 25 hours.

CHEESE Modeller

  • CHEESE Modeller is the answer to building effective predictive models, even with minimal AI/Machine Learning knowledge.

    It empowers users to:
  • Build Predictive Models: Create models from your data in seconds/minutes using a user-friendly GUI.
  • ‍Run Rapid Predictions: Quickly run predictions on very large databases.
  • Full Circle Efficiency: Complete the entire process—from experimental data to ranking 40M molecules in just one hour.

Services

Expert Services

Derived from our drug discovery AI platform, our expert team provides hands-on assistance.

Collaborative Approach

We work closely with you, tailoring our support to meet your specific goals and requirements.

Accessible AI Tools

Our AI tools bridge the gap between cutting-edge technology and practical application.

How do we do it?

Navigating the AI space on your own can be daunting---complexity of AI tools, lack of expertise, and uncertainty about the outcomes.
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We resolve initial uncertainty from AI tools by services of our experts with experience from collaborations with medicinal chemists:

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    Intuitive GUI of CHEESE platform simplifies the operation of AI in your research workflows.
    With our experts you learn how to utilise the power of AI tools optimally

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    We have deep experience with data analysis and result interpretation.
    We make sure that results are clear, actionable, and aligned with your research goals. 

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    We assist you in optimising your datasets and provide guidance on data enrichment strategies.
    Our platform is designed to work effectively even with limited data, ensuring reliable predictions. 

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    Seamless integration into customer workflows is corner stone of our platform design
    Either done by you or our experts, the integration is efficient and straightforward

Collaboration with Deep MedChem has significantly streamlined the implementation of AI/ML technologies for processing chemoinformatics data in our drug discovery processes. Through a series of open consultations, the members of Deep MedChem quickly and effectively understood our needs. As a result of this collaboration, we now possess several proprietary models that provide us with significant competitive advantage over other solutions.
Jan Skácel
Research Group Lead, IOCB Prague
CHEESE Modeller has been a game-changer for our drug discovery projects.
The tool accurately predicted docking scores in our virtual screening saving us 200 days of computation time, while achieving unprecedented hit rate. Its simplicity and ease of use set it apart from competitors. Additionally, their customer support is outstanding, always providing prompt and effective assistance including updates in their product. Collaborating with Deep MedChem has boosted our research capabilities and competitive advantage.
Chief Scientific Officer
A San Francisco Bay Area Biotech Company

Contact us

We look forward to helping you make your project a success!