Drug Discovery

Use AI to accelerate and optimize drug discovery from target to candidate molecules

Business impact

• Time to Market — AI shortens drug discovery cycles, enabling faster clinical trial starts
• R&D Efficiency — Automated data analysis and modeling improve research productivity and throughput
• Drug Candidate Success Rate — Better target identification and molecule design increase likelihood of success
• Cost Reduction — Reduced experimental burden and optimized workflows lower overall development costs
• Data Quality — AI-driven integration and validation enhance reliability of experimental data

Data requirements

• Biological assay data (Numeric) — Used to evaluate compound efficacy and toxicity in drug screening
• Genomic and proteomic data (Structured) — Supports target identification and biomarker discovery
• Chemical structure databases (Structured) — Provide molecular information for virtual screening and design
• Cryo-electron microscopy images (Image) — Enable 3D protein structure determination for structure-based design
• High-throughput screening results (Numeric) — Feed into AI models to predict promising drug candidates
• Literature and patent text (Text) — Used for knowledge extraction and hypothesis generation
• Multi-omics datasets (Structured) — Integrate diverse biological layers for comprehensive target analysis

AI methods and techniques

• Predictive AI — Predicts molecule properties and biological activity to prioritize candidates
• Generative AI — Designs novel molecules and antibodies with desired characteristics
• Agentic AI — Automates iterative experimental design and optimization cycles
• Symbolic AI — Incorporates domain knowledge and rules for explainable decision-making

AI models and model families

GPT-4o, Claude, Llama, BioNeMo, RFdiffusion

Industries

Real-world evidence

32 documented case studies on record.

Companies using this: Absci, Amgen, Atomwise, Cortical Labs, Curve Therapeutics, Deloitte, Ernst Young, Evotec, Exscientia, Generate Biomedicines, Genetics, Global Health Drug Discovery Institute GHDDI, Google, IBM, Innophore and 17 more.