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AI for Drug Discovery

Create a foundation for artificial intelligence in CDD Vault and harness our advanced AI capabilities.

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Trusted Lab Informatics Software by
100's of Top Organizations

Computer Aided Design

Discover Compounds

Rapidly search 9 million structures, representative of 10 billion virtual structures from ChEMBL, SureChEMBL, Enamine, and CDD Public for similar structures in CDD's secure environment. Similarity search results can be grouped by scaffold and pushed with one click to Visualization.
Synthesizable Molecules

With its focus on public structures, CDD Vault's AI solutions have a bias towards synthesizable molecules.
Bioisosteric Suggestions

CDD Vault's innovative solution to enhance potency and improve pharmacokinetics. Iteratively improve your molecule design and streamline the development of new therapies using our advanced bioisosteric suggestion algorithm.
Patent Busting

CDD Vault's instance of SureChEMBL allows you to search a comprehensive database of chemical compounds exemplified in patents to evaluate the novelty of your structure.

Rapidly search 9 million structures, representative of 10 billion virtual structures from ChEMBL, SureChEMBL, Enamine, and CDD Public for similar structures in CDD's secure environment. Similarity search results can be grouped by scaffold and pushed with one click to Visualization.

AI Drug Discovery

With its focus on public structures, CDD Vault's AI solutions have a bias towards synthesizable molecules.

Deep learning with scientific data visualization

CDD Vault's innovative solution to enhance potency and improve pharmacokinetics. Iteratively improve your molecule design and streamline the development of new therapies using our advanced bioisosteric suggestion algorithm.

AI for Drug Discovery

CDD Vault's instance of SureChEMBL allows you to search a comprehensive database of chemical compounds exemplified in patents to evaluate the novelty of your structure.

AI Drug Discovery software

Watch a Demo

For Biologists
For Chemists
For Modified Bioconjugates

Deep learning with scientific data visualization

Key Capabilities

Fast Searching with AI: Learn more about your compounds and privately explore the IP patent space within ChEMBL, SureChEMBL, Enamine, and CDD Public.
Bioisosteric Suggestions: Generate ideas around your lead compounds, register them, and explore results in Visualization.
SAR by Catalog: Order compounds directly from vendors like Enamine.
API Access to Deep Learning Technology: Embed our deep learning technology into your analytical workflows; build your own predictive models and optimize the properties of your leads to generate new ideas.
Property Predictions: Use our machine learning models (logP, logD, or pKa) which are readily available for all your structures, or our SuperSAR technology in Visualization.
AI-Ready Data: CDD Vault helps you create standardized data, enriched with metadata, ready to leverage AI.
Virtual Compounds: Take advantage of AI similarity search around your theoretical structures for bioisosteric replacement suggestions.

AI Drug Discovery FAQs: Unveiling the Future

The world of AI-powered drug discovery brings up many questions. Here, we've compiled some of the most frequently asked questions to shed light on how this revolutionary technology is shaping the future of pharmaceutical research.

What is AI Drug Discovery, and How Does it Differ from Traditional Methods?

AI drug discovery involves using artificial intelligence technologies, including machine learning and deep learning, to accelerate and enhance the drug discovery process. Unlike traditional methods that rely heavily on manual experimentation and analysis, AI drug discovery leverages computational power to analyze vast datasets, predict molecular behavior and identify potential drug candidates much more rapidly and accurately.

What Are the Benefits of Integrating AI into Biological Research?

Integrating AI into biological research offers several benefits, including accelerated discovery processes, enhanced accuracy in data analysis and interpretation, cost reductions by streamlining research workflows, and identifying novel therapeutic targets that might not be apparent through conventional research methods.

How Can AI Improve the Efficiency of Drug Discovery?

AI improves the efficiency of drug discovery by processing and analyzing data at an unprecedented speed, significantly reducing the time required for data analysis and hypothesis testing. It also increases the precision of predictions regarding compound behaviors and interactions, thereby minimizing the need for extensive physical experimentation.

What is the importance of clean and curated data for AI applications?

Clean and curated data is essential for AI because it ensures accuracy, reliability, and high model performance. It helps reduce biases, save time and resources, and support scalability. Proper data management ensures compliance with regulations and enhances security. High-quality data improves model interpretability, reduces errors, and builds trust with users. In customer-facing applications, it leads to better user experiences and higher satisfaction. Ultimately, clean data is fundamental to developing effective, trustworthy, and efficient AI systems.

Embrace the Next Wave of Innovation with Deep Learning

As we stand on the brink of a new era in pharmaceutical research, the integration of AI in drug discovery heralds a future where innovation meets efficiency. Collaborative Drug Discovery's (CDD) AI technology is at the forefront of this transformation, accelerating the path from concept to cure.

Embrace the future with CDD's AI drug discovery software—where every discovery is a step closer to saving lives. Experience the difference firsthand and join us in pioneering the next wave of pharmaceutical breakthroughs.

Start your journey with CDD today and revolutionize the way we discover drugs.

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Every couple of times I log into CDD Vault I find new features which are either things we asked for or that address our needs. It shows CDD takes customer feedback seriously.

DANIEL FACTOR, Ph.D.

Associate Director Pharmacology, Convelo Therapeutics

Additional Resources

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