Engineering Scientific Discovery
with AI & FAIR Data Infrastructure

From modelling to governance, we build interoperable research systems that accelerate insight across scientific domains, including Safe and Sustainable by Design (SSbD) assessment and data-driven innovation.

9
Scientific Domains
35+
AI, Modelling & Data Infrastructure Capabilities
500+
Computational Models Developed
24/7
Secure Research Cloud

Integrated Scientific AI & Data Capabilities

Supporting the research lifecycle, from computational modelling and AI to FAIR-native data architecture, governance, secure cloud systems, and Safe and Sustainable by Design (SSbD) decision support.

Defence & Security

AI-powered solutions for blast damage prediction, advanced ballistic materials, chemical agent exposure modelling, UAV detection, and flight data analytics for defence and security applications.

Blast Prediction Ballistic Materials UAV Detection Chemical Safety
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Data-Driven Drug Discovery

AI-enabled molecular design in reproducible workflows. We combine physics-based modelling, ML, and curated data for screening, ADMET, and lead optimisation.

Virtual ScreeningADMET ModellingMolecular DesignLead OptimisationReproducible Workflows
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Materials Modelling

Predictive materials engineering, from molecular simulation to DFT. We connect modelling workflows to structured metadata for reusable results.

Molecular DynamicsDFTDigital TwinsSafe-by-DesignComputational Chemistry
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AI & Machine Learning

Domain-specific AI for reproducible scientific research. Built on structured data pipelines and governance-aware workflows.

QSAR/QSPRAutoMLPredictive ModellingDesign of ExperimentsHPC & Data Analytics
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Bioinformatics & Multi-Omics Systems

AI-enabled bioinformatics for integrative translational research. We unify multi-omics and clinical data to accelerate targets, biomarkers, and precision medicine.

Multi-Omics IntegrationSystems BiologyTranslational ResearchBiomarker DiscoveryPrecision Medicine
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Exposure Fate & Biokinetics

Human and environmental exposure, fate modelling, and biokinetics. From airborne particle deposition to multimedia environmental fate and nanomaterial bioaccumulation.

Lung DepositionEnvironmental FateBioaccumulationRisk AssessmentPBPK Modelling
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Data & FAIR Infrastructure

Pharos data platform ecosystem (nanoPharos, chemPharos, MedPharos), FAIR-compliant data architecture, metadata harmonization, and AI-ready dataset engineering for reproducible science.

Pharos Platform FAIR Data Data Harmonization AI-Ready Datasets
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Research Systems & SaaS Engineering

Scalable scientific platforms engineered for integration and reproducibility. Microservices and APIs that connect models, AI systems, and governed data.

Cloud PlatformsRESTful APIsWorkflow AutomationSystem IntegrationScientific UX

Training & Capacity Building

Build institutional capability in AI, modelling, and FAIR data infrastructure. Advanced training for sustainable adoption—tailored to your teams and systems.

AI & Data TrainingFAIR ImplementationComputational MethodsInstitutional CapacityCustom Programmes NovaMechanics dots

Trusted by leading organizations worldwide

EFSA ECHA Karolinska Institutet Zalando SE EU H2020 Horizon Europe