Integrated Drug Discovery Services

Home 5 Discovery Solutions 5 Integrated Drug Discovery

From Hypothesis to Lead in Record Time, A Unified, AI-Empowered Discovery Engine

We fuse biology, chemistry, informatics, and AI within a single integrated drug discovery services platform to deliver optimized lead compounds faster and with higher confidence. As part of PI Health Sciences’ integrated drug discovery solutions, our approach combines deep scientific expertise with digital precision, transforming traditionally fragmented discovery efforts into a continuous, data-driven, and intelligent feedback process.

Traditional drug discovery workflows are often siloed, with biology, medicinal chemistry, and in silico teams operating independently—leading to delays, misalignment, and loss of critical insights. Our integrated, AI-driven drug discovery ecosystem embeds cross-functional teams into one connected workflow, seamlessly uniting biology, medicinal chemistry, structural biology, DMPK and ADME modeling, and AI/ML-enabled informatics to accelerate decision-making and reduce development risk.

By integrating advanced drug discovery tools and platforms such as Cresset Torx®, Agentic AI systems, SciFinder®, Reaxys®, and Synthia®, our integrated drug discovery services enable rapid molecular design, prediction, and prioritization. Iterative feedback loops, real-time data integration, and dynamic decision-gating dramatically reduce design–make–test–analyze cycle times, minimize attrition, and accelerate the progression of high-quality lead candidates toward preclinical development.

Capabilities

 

Integrated Drug
Discovery

Why Partner With Us?

 

Proven Track Record

Delivered a kinase lead in 6 months via AI-chemistry loop.

Lower Risk

Early detection of liabilities via predictive models.

Speed & Efficiency

Compressed timelines via parallelization.

Transparency

Shared dashboards, audit trails, and decision rationales.

Flexible Engagement Models

Full program execution, modular support, or co-development partnerships.

Frequently asked questions

We’re here to help with any questions you have about our plans, supported features, and how our model works.
Why partner with PI Health Sciences for Integrated Drug Discovery services instead of a fragmented CRO model?

PI Health Sciences delivers an integrated, chemistry-led IDD framework where target readiness, hit identification, hit-to-lead, and early lead optimization are executed under unified scientific oversight. This structure preserves decision logic, reduces iterative rework across stages, and enables development-informed optimization from the outset.

How are target identification and hit identification handled in the IDD workflow?

Target and hit identification are executed through tightly integrated biology and chemistry teams supported by computational and AI tools. Biological insights, structural data, and in-silico prioritization are aligned early to ensure only tractable, developable targets and high-confidence hits advance into hit-to-lead programs.

How does PI Health Sciences ensure transparency and data integrity?

All discovery programs are supported by shared dashboards, structured data capture, audit trails, and clearly documented decision rationales. This transparency enables sponsors to track progress, understand scientific decisions, and maintain regulatory-ready documentation.

How is hit-to-lead and lead optimization executed within the PI Health Sciences IDD model?

Hit-to-lead and lead optimization are driven by iterative medicinal chemistry using multi-parameter optimization to balance SAR, physicochemical properties, and early developability indicators. Design decisions incorporate synthetic feasibility, impurity risk, and preliminary scalability considerations to support efficient progression into development.

How does an AI-empowered discovery engine accelerate lead identification?

Our AI-empowered discovery platform combines in-silico modeling, predictive analytics, and real-time experimental feedback to prioritize compounds based on relative performance rather than isolated predictions. Continuous AI-chemistry-biology feedback loops reduce design–make–test–analyze (DMTA) cycle times and improve lead quality early in discovery.

Insights & Resources

Experience case studies from around the services

View all

Contact Us

Connect with PI Health Sciences to discover how our customized integrated drug discovery services streamline your molecule’s journey from concept to clinic – accelerating decisions with precision and confidence.