Lead discovery & Optimization

AIDDISON™ AI-Powered Drug Discovery

Design novel molecules, prioritize candidates, and de-risk your pipeline using robust AI/ML insights and real-world data.

Breakthrough Speed. Boundless Exploration.

From de novo design to retrosynthesis route planning, AIDDISON™ empowers medicinal chemists to make data-driven decisions at every stage of drug discovery with unprecedented efficiency.

30+

YEARS OF EXPERIMENTAL TRAINING DATA

65B+

MOLECULES IN VIRTUAL CHEMICAL SPACE

99%

FASTER THAN TRADITIONAL SCREENING

Seamless AI for Small Molecule Design

See how AIDDISON™ brings clarity and efficiency to your drug discovery workflows.

Generate Hits Optimize Leads Evaluate & Visualize Build Screening Library

Design Innovative Molecules

Discover novel, drug-like hits faster with generative de novo design, optimizing for synthetic feasibility and binding affinity from the start.

Navigate Vast Chemical Space

Predict ADMET Properties

Harness our robust AI/ML prediction models, trained on decades of proprietary data, to prioritize leads with a higher probability of success.

Customize Reinforcement Learning Models

Visualize Binding Interactions

Accurately assess protein-ligand interactions, identify activity cliffs, and propose targeted modifications using our 3D alignment and docking tools.

Gain Deeper Insights

Synthesize Novel Compounds

Ensure your virtual designs can become reality with built-in synthetic accessibility scores and retrosynthesis pathways via SYNTHIA™ API.

Source Essential Starting Materials

Benefits of aiddison™ IN DRUG DISCOVERY

All-in-One Drug Design

Virtually design, optimize, and plan synthesis—seamlessly in one platform.

Data-Driven Insights

Leverage 30+ years of real-world ADMET data to predict drug properties with confidence.

Designed for Efficiency

Navigate complex drug discovery with intuitive data visualization and explainable AI.

Streamlined 
Sourcing

Access our integrated chemistry platform to accelerate your journey from concept to clinic.

Licensing

One Platform. Endless Possibilities.

With AIDDISON™, you gain access to a suite of industry-leading tools, proprietary data models, and vast product catalogs—all integrated into a single, easy-to-use platform. Get in touch with our team to discuss flexible subscription options.

Flexible License Terms

  • Enterprise, individual, and academic licenses
  • Quarterly and annual subscriptions

Customer Service

  • Training & Video Tutorials
  • Technical support
  • On-Site Workshops Available

Integrations

GET STARTED

Find the Right Molecule with AIDDISON™

Ready to see how AIDDISON™ can transform your drug discovery?  Contact us today to learn more and request a demo of our solutions.






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“AIDDISON™ is an integrated and easy-to-use tool for lead identification that brings together a suite of tools for modeling, docking, and scoring molecules.”

- SVP, Drug Discovery, Emerging Biotech

“AIDDISON™ is a one-stop-shop for medicinal chemists interested in molecular modeling and large chemical space exploration.”

- Medicinal Chemist, Emerging Biotech

“With various prediction, docking, and analysis tools, AIDDISON™ will enable you to speed up drug discovery.”

- Head of Chemistry, Pharmaceutical

“AIDDISON™ combines data analytics with the ability to search several virtual databases to efficiently do hit expansion while incorporating preliminary molecular modeling to provide structural insights.”

- Medicinal Chemist, Emerging Biotech

Resources

Explore our latest white papers, webinars, and more to stay informed about cutting-edge advancements in AI-powered drug discovery and retrosynthesis.

White Papers

Technology Guide for AI Drug Discovery

Learn practical strategies for using AI/ML to find novel drug candidates and how to integrate AI tools into your existing workflows.

White Papers Drug Discovery

White Papers

Building Your AI Drug Discovery Program

This playbook provides a comprehensive guide to integrating AI into existing small molecule drug discovery programs.

White Papers Drug Discovery

Webinars

Decoding De Novo Drug Design with Gen AI

Discover how to apply generative AI methods in hit identification, hit-to-lead, and lead optimization of novel molecules.

Webinars Drug Discovery

News & Events

Stay up to date with recent news articles and upcoming conferences where you can connect with our experts.