How Roche Leverages AI and Machine Learning to Revolutionize Drug Discovery and Development

By: GoBeyond Team
July 27, 2025
3 min read
Roche AI drug discovery platform interface showing molecular simulations and predictive analytics

Quick Overview

Roche and its subsidiary Genentech use AI and machine learning (ML) to analyze vast biomedical data and simulate drug interactions, accelerating the drug discovery process. Their “lab in a loop” approach iteratively trains AI models on lab and clinical data to predict drug targets, therapeutic molecules, and optimize molecule design. Collaborations with partners like Recursion Pharmaceuticals and Genesis Therapeutics enhance capabilities in cell biology mapping, molecular simulation, and antibody design. This AI-driven strategy reduces R&D time, costs, and improves success rates in identifying promising drug candidates.

Roche
Roche
Company Size
Large multinational pharmaceutical and biotechnology company
Revenue Range
$60B+ annual revenue
Primary Challenge
Accelerating drug discovery, improving prediction accuracy, and reducing R&D costs amid complex data and high failure rates
Key Metrics

- Approximately 90% reduction in drug candidate failure rate in early trials
- Faster identification of promising drug targets and molecules
- Accelerated design and testing of novel therapies
- Enhanced prediction of protein structures and drug-target interactions
- Multi-billion dollar investments in AI partnerships and platforms

The Problem

Traditional drug discovery is slow, costly, and has a high failure rate due to complex biological data and trial-and-error methods

The Solution

AI/ML models trained on massive datasets from lab experiments and clinical studies; generative AI for molecule design; simulation of drug-target interactions; partnerships with AI companies for advanced computational platforms

Results

- Dramatically faster drug discovery cycles
- Reduced R&D costs
- Improved accuracy and reliability in candidate selection
- Enhanced ability to design complex molecules and antibodies
- Scalable AI-driven drug development pipeline

“The ‘lab in a loop’ approach is transforming drug discovery by combining AI predictions with experimental validation, accelerating the development of new medicines.”“Our AI collaborations enable us to explore uncharted biological spaces and design therapies that were previously impossible.”

Aviv Regev, Head of Genentech Research and Early Development (gRED)

Details

Industry
Manufacturing
Departments
Product Development & Innovation
IT & Security
Use Cases
Product Development
Tags
GenAI
NLP
Scalability
Team Efficiency
Time-Saving
AI Tools Used
No items found.
Sources
https://www.roche.com/stories/ai-revolutionising-drug-discovery-and-transforming-patient-carehttps://www.roche.com/stories/harnessing-the-power-of-aihttps://theconferenceforum.org/webinars/practical-uses-of-ai-in-rd-guide-and-roche-case-studyhttps://aws.amazon.com/solutions/case-studies/roche-healthomics-case-study/https://www.linkedin.com/pulse/strategic-use-artificial-intelligence-generative-ai-roche-manchau-6ywochttps://www.roche.com/stories/recursionhttps://www.abpi.org.uk/partnerships/working-with-the-nhs/nhs-industry-partnership-case-studies-library/roche-october-2021-case-study-1/https://www.genengnews.com/news/roche-genentech-recursion-launch-up-to-12b-ai-drug-discovery-effort/

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