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Created by scientists, for scientists

Accelerate Research with
Data-Driven Solutions

From drug discovery to materials design, we combine AI, computational chemistry, and data science to help you go from hypothesis to insight faster.

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8
Service Areas
35+
Specialized Capabilities
500+
AI Models Deployed
24/7
Cloud Availability

Eight Pillars of Scientific Innovation

Comprehensive computational services spanning the full research lifecycle, from molecular design to cloud deployment.

Data-Driven Drug Discovery

Build confidence in designed molecules before costly synthesis. Get to preclinical candidates faster with AI-powered virtual screening, ADMET predictions, and de novo molecular design.

Virtual Screening Bioactivity Predictions Toxicity (ADMET) De Novo Design Lead Optimization Fragment-Based Design

Materials Modelling

Computational chemistry and physics for advanced materials design and safe-by-design approaches.

Molecular Dynamics DFT Digital Twins

AI & Machine Learning

State-of-the-art AI for materials, chemistry, and pharmaceutical applications.

QSAR/QSPR AutoML Risk Assessment

Data Science & Analytics

Advanced statistical analysis, design of experiments, and high-performance computing for research acceleration.

Statistics DOE HPC Visualization

Data FAIRification

Making your research data Findable, Accessible, Interoperable, and Reusable. From compliance assessment and gap analysis to metadata standardization, ontology mapping, and repository integration.

FAIR Compliance Metadata Standards Ontology Mapping Provenance Tracking Linked Data

Database Solutions

Comprehensive data management ecosystems and cloud-based knowledge systems.

Data Curation Cloud KM Custom CRM

SaaS Development

Custom cloud-based platforms with microservices, RESTful APIs, and user-centric design.

Cloud Platforms UX Design APIs

Training Courses

Intensive, hands-on training programs in data science, machine learning, and AI. 75% practice, 25% theory. Available as live-online sessions, in-person workshops, and custom corporate programs.

Data Science Fundamentals Machine Learning & AI Cheminformatics QSAR/QSPR Isalos Platform Training

From Molecule to Medicine, Faster

Our computational drug discovery pipeline combines virtual screening, AI-powered property prediction, and generative molecular design to reduce the time and cost of bringing new therapeutics to market.

  • Virtual Screening Structure-based and ligand-based screening with high-throughput docking
  • ADMET Predictions Toxicity assessment, bioactivity and property predictions via AI
  • Molecular Design De novo design, fragment-based approaches, multi-parameter optimization
Explore our full pipeline

Hit Identification

Screen millions of compounds in silico to find promising leads

Safety Assessment

Predict ADMET properties and toxicity before synthesis

Lead Optimization

AI-guided multi-parameter optimization for drug-likeness

Target Identification

Identify biological targets with computational methods

AI That Understands Chemistry

Our machine learning models are purpose-built for scientific domains. From QSAR/QSPR modeling to regulatory risk assessment, we bring together domain expertise with cutting-edge algorithms.

  • Predictive Modelling QSAR/QSPR models, AutoML, ensemble methods and model validation
  • Risk Assessment Read-across methods, hazard assessment, regulatory compliance
  • Custom Domain Models Materials-specific ML, chemistry-focused AI, pharma applications

AutoML

Automated model selection, hyperparameter tuning, and validation

Risk & Hazard

Regulatory-grade read-across and uncertainty quantification

Ensemble Methods

Combine multiple models for robust, reliable predictions

Domain Adaptation

Transfer learning for materials, chemistry, and pharma

From Raw Data to Actionable Knowledge

We handle the entire data lifecycle: collection, curation, FAIRification, analysis, and deployment. Our database solutions and SaaS platforms ensure your research data works as hard as you do.

  • Data FAIRification FAIR compliance, metadata standards, ontology mapping, linked data
  • Database Solutions Custom data ecosystems, cloud knowledge management, CRM systems
  • SaaS Development Cloud platforms, microservices, APIs, and user-centric interfaces

FAIR Compliance

Full assessment, gap analysis, and improvement roadmaps

Cloud Platforms

Scalable, secure SaaS with microservices architecture

Data Curation

Quality control, enrichment, and standardization pipelines

API Integration

RESTful APIs, third-party connectors, and repository links

Hands-On Scientific Training

Our intensive bootcamp approach gets your team from learning to doing. With 75% hands-on practice, participants work with real datasets and real tools from day one.

  • Data Science & Analytics Fundamentals, statistical methods, visualization, and advanced workflows
  • Machine Learning & AI Supervised/unsupervised learning, deep learning, model deployment
  • Specialized Programs Cheminformatics, materials informatics, QSAR, Isalos platform training
75%
Hands-on Practice
25%
Theory & Concepts
Live Online In-Person Workshops Corporate Programs Bootcamp Format

Trusted by leading organizations worldwide

EFSA ECHA Karolinska Zalando EU H2020 Horizon Europe

Ready to Accelerate
Your Research?

From months to weeks. Let's discuss how our solutions can transform your scientific workflow.