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38 lines
2.2 KiB
ReStructuredText
Case Study: Hypercholesterolemia Drug Discovery
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.. image:: https://colab.research.google.com/assets/colab-badge.svg
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:target: https://colab.research.google.com/drive/1UwJ6RwyUoqI5risKQ365EeFdDQWOeOCv?usp=sharing
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:alt: Open in Google Colab
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**Explore a full AI-driven drug discovery workflow using ToolUniverse and Gemini 2.5 Pro!**
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This tutorial walks you through the hypercholesterolemia case study presented in our paper, "Democratizing AI scientist systems using ToolUniverse." You can run the entire workflow interactively in Google Colab: `ToolUniverse Case Study Notebook <https://colab.research.google.com/drive/1UwJ6RwyUoqI5risKQ365EeFdDQWOeOCv?usp=sharing>`_.
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What does the case study cover?
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-------------------------------
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- **End-to-end drug discovery pipeline** for hypercholesterolemia
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- **AI scientist reasoning**: See how Gemini 2.5 Pro uses ToolUniverse tools to select targets, analyze tissue expression, choose drugs, and optimize molecules
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- **Human-in-the-loop**: Integrates expert feedback for final decision making
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- **Tool calls and outputs**: All code and tool calls are shown step-by-step
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Sections in the tutorial:
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-------------------------
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1. **Target Selection**: Identify top protein targets for hypercholesterolemia using OpenTargets and literature review
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2. **Target Characterization**: Analyze tissue/organ expression of selected target to assess drug side effects
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3. **Drug Selection**: Review current drugs targeting the protein and select a molecule to optimize
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4. **Analog Search & ADMET Prediction**: Find structural analogs and predict pharmaceutical properties
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5. **IP Review**: Check intellectual property status for the optimized molecule
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How to use this tutorial:
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-------------------------
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- **Open the Colab notebook**: Click the badge or link above
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- **Follow the step-by-step code**: Each section includes code, tool calls, and reasoning
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- **Learn by example**: See how ToolUniverse enables agentic workflows for real-world biomedical research
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Useful links:
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-------------
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- `ToolUniverse Documentation <https://aiscientist.tools>`_
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- `ToolUniverse GitHub <https://github.com/mims-harvard/ToolUniverse>`_
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- `Gemini 2.5 Pro <https://deepmind.google/technologies/gemini/>`_
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