NovaMechanics is a pioneering SME at the intersection of cheminformatics, nanoinformatics, AI, and computational modelling — accelerating drug discovery and materials innovation since 2009.
Our Story
NovaMechanics Ltd applies state-of-the-art mathematical techniques for the creation, implementation, and interpretation of validated predictive models — spanning big data analysis, personalized medicine, clinical trials, computer-aided drug discovery, and materials science.
Our goal is to increase profitability, decrease risk, and reduce experimental cost in the process of designing and producing new materials or drugs by conceiving new modelling ideas and performing simulations, testing, and validation procedures.
With headquarters in Nicosia, Cyprus and operations in Athens, Greece, we develop cutting-edge software tools, predictive models, and cloud-based platforms that transform how researchers approach scientific challenges.
Computer-aided design of small molecules for diseases including cancer, arthritis, thalassaemia, and more
Safe-by-design approaches to nanomaterials and advanced materials development
Cheminformatics, bioinformatics, and nanoinformatics powered by machine learning
SaaS tools making advanced analytics accessible to researchers worldwide
What Drives Us
Democratizing advanced analytics and accelerating scientific innovation for researchers and organizations worldwide.
Bridge the gap between disease targets and optimal drug candidates with significantly lower costs and increased potential. Make cutting-edge AI, machine learning, and predictive modelling accessible to everyone.
A world where computational methods and AI empower every scientist to make better, faster, and safer decisions — from molecular design to clinical application, from materials discovery to regulatory compliance.
Created by scientists, for scientists. We combine deep domain expertise in chemistry, biology, and materials science with state-of-the-art AI and software engineering to deliver solutions that work the way researchers do.
The People Behind the Science
A multidisciplinary team of PhD scientists, researchers, and engineers pushing the boundaries of computational science.
Our Platforms
Industry-leading tools for cheminformatics, predictive modelling, and data analytics.
No-code desktop analytics platform for data preparation, statistical analysis, machine learning, AutoML, and DOE. Available on Windows, macOS, and Linux.
Learn moreAI-powered cheminformatics and nanoinformatics web services. Access 500+ predictive models for drug discovery, materials design, and safety assessment — free of charge.
Learn moreStandalone, platform-independent software packaging any predictive model developed by NovaMechanics. Custom-made solutions for your specific research needs.
Learn moreComprehensive cheminformatics and nanoinformatics functionalities integrated into the KNIME analytics platform for big data analysis and drug discovery.
Learn moreWhere to Find Us
Whether you need computational support, a research partner for an EU proposal, or custom software solutions — we'd love to hear from you.