Use case type

Drug discovery

Assists in identifying and evaluating candidate compounds, targets, and biological relationships. It helps reduce the time and effort required to advance new therapies through early research.

Use cases

19

Examples

19

Industries

2

Timeline

11 mo

Data updated 1 day ago

Adoption over time

Documented cases per month

By case publish month · completed months only

16 cases documented across 37 months (Jul 23 – Jul 26), peaking at 3 in April 2026.

2 earlier cases before Jul 23 not shown

Each column counts every documented case of this type by its publish month, across the full corpus. The in-progress current month is excluded from columns and surfaced separately, and cases published before the charted window are summarized as earlier cases instead of plotted.

Company examples

Use cases of this type

10 shown from 19 use cases

Ryvu Therapeutics is an oncology biotech company that relies on computational methods such as molecular docking, molecular dynamics, protein structure prediction, and physics-based free energy perturbation calculations to prioritize chemical compounds for drug discovery.The company needed to overcome an on-premises compute bottleneck that pushed simulation turnarounds from hours into weeks and slowed down medicinal chemistry synthesis cycles. It built an automated in silico evaluation pipeline on Google Cloud using Google Batch, Compute Engine GPUs, Cloud Storage, and Nextflow orchestration, with Gemini also mentioned among products in the source.

Ryvu TherapeuticsPharma

Phagos applies generative AI to match bacteriophages with target bacteria for personalized phage therapy.The company built AI models on AWS to simulate millions of phage-bacteria interactions and accelerate treatment discovery.

PhagosPharma

Tangram Therapeutics is a UK biotech company focused on solving human disease through computational RNA interference (RNAi) medicines.To accelerate drug target discovery and evaluation, Tangram built LLibra OS, an agentic AI platform that unifies proprietary, licensed, and curated public datasets for research and target-indication assessment.The platform supports retrieval augmented generation, web search, and text-to-SQL to help researchers identify novel targets, evaluate therapeutic potential, and design medicines.

Tangram TherapeuticsPharma

AstraZeneca is a global, science-led biopharmaceutical company focused on discovery, development and commercialization of prescription medicines.The company uses AWS to support research through commercialization, and specifically applies Amazon Bedrock to accelerate clinical trials by combining structured and unstructured data.An agentic AI-powered Development Assistant gives clinical, regulatory, safety, and quality teams conversational access to trusted insights in seconds.

AstraZenecaPharma

Schrödinger uses Google Cloud as the foundation for its physics-based molecular simulation platform to accelerate drug discovery and reduce the cost and time of lab work.The company runs compute-intensive simulation workloads that previously took up to three weeks on on-premises clusters; with Google Cloud, it can scale horizontally across more GPUs and CPUs to finish computations within hours.Schrödinger added BigQuery as a data hub for hundreds of billions of molecules, reagents, and iterations, and uses machine learning to narrow simulation results toward the most promising candidate molecules.

SchrödingerPharma

AWS supports healthcare and life sciences organizations in deploying generative AI to accelerate drug discovery, improve clinical trial development, enhance medical imaging and pathology analysis, automate clinical documentation, and streamline regulatory compliance.Customers such as Pfizer, Natera, Clario, Aetion, Sanofi, Philips, Hippocratic AI, Solventum, Amazon Pharmacy, and Radboud University Medical Center use AWS technologies to enhance research, care delivery, and compliance workflows.AWS technologies employed include Amazon Bedrock, Amazon SageMaker, AWS HealthScribe, Amazon Textract, and Amazon Comprehend.Applications include rapid drug candidate screening, protocol generation, synthetic defect image generation, compliant content creation, real-world evidence analysis, sales team compliance improvement, clinician task automation, call center productivity, prior authorization automation, and compliance reporting.

Merck & Co., Inc. modernized its clinical data ecosystem to overcome siloed systems and accelerate drug development and manufacturing efficiency using AWS generative AI and analytics technologies.The company implemented a data platform spanning 300+ clinical trials and deployed AI models for medical coding, database workflows, and drug design using AWS HealthOmics and Anthropic Claude models on Amazon Bedrock.Merck also used generative AI text-to-SQL for natural language querying of healthcare data, improving analyst efficiency and accelerating R&D decisions.The manufacturing data analytics platform was rebuilt on AWS, leading to a 3x performance boost and 50% cost reduction.These innovations enabled a 70% reduction in clinical trial costs, 3x faster data processing, and overall operational cost savings.

MerckPharma

Sanofi launched its Digital Accelerator to speed up digital innovation across research and development, clinical, commercial, and manufacturing workflows.The initiative aims to shorten the time from discovery to therapy and improve patient, provider, and employee experiences through AI-powered solutions.

SanofiPharma

This article discusses how generative AI, powered by platforms like Microsoft Azure AI, is transforming pharmaceutical R&D by drastically reducing the time and cost involved in drug discovery and clinical trials. It highlights specific examples such as the case of Insilico Medicine, which used generative AI to achieve preclinical drug identification in just 18 months at a significantly reduced cost. Applications of generative AI include literature review, drug target prediction, compound generation, and even patient recruitment for clinical trials. It also discusses partnerships, such as Cognizant's collaboration with Microsoft Azure AI, to further embed generative AI technologies into life sciences R&D workflows, enhancing drug stability and patient compliance.

Insilico MedicinePharma

UCB, a global healthcare biopharmaceutical company, collaborates with Microsoft to integrate computational services, AI, and cloud technologies for more efficient drug discovery and development. By leveraging Microsoft’s platforms, UCB scientists now analyze multi-modal, high-dimensional data to identify more effective treatment modalities. Their partnership, originating from contributions to the COVID Moonshot project, focuses on improving patient experiences, understanding disease biology, discovering therapeutic molecules faster, and accelerating clinical trial timelines.

Common questions

Drug discovery at a glance

How many drug discovery use cases are documented?
The AI Use Case Hub documents 19 real drug discovery deployments across 2 industries, with 19 detailed company examples you can browse.
Which industries adopt drug discovery the most?
Drug discovery is most common in Pharma (79%) and Healthcare (21%).
Which countries lead in drug discovery?
United States leads documented drug discovery deployments, followed by India and France.
What technologies are used for drug discovery?
Teams most often build drug discovery with Azure AI, Amazon Bedrock and Azure ML.
What AI capabilities power drug discovery?
Across the documented deployments, the most common capability patterns are Fine-tuning (11%), Agent (11%) and Multi-agent (11%).
What results do companies report from drug discovery?
Across the 19 deployments reporting outcomes, companies most often cite new product / capability (89%), speed & agility (74%) and better decisions & insight (32%). Where impact is quantified, the strongest evidence is in other quantified impact: a median −70% across 1 reported metric.